(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide

C22H31ClN4OS — CID 118204509

IUPAC(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
SMILESCc1ccc(Nc2ncc([C@H](N[S@](=O)C(C)(C)C)C3CCCCC3)cc2Cl)cn1
InChIInChI=1S/C22H31ClN4OS/c1-15-10-11-18(14-24-15)26-21-19(23)12-17(13-25-21)20(16-8-6-5-7-9-16)27-29(28)22(2,3)4/h10-14,16,20,27H,5-9H2,1-4H3,(H,25,26)/t20-,29-/m1/s1
InChIKeyQZVDSXQTRYAQJK-ACSYHNTCSA-N
MW435.04 g/mol
LogP5.86
Rot. Bonds6

About (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 118204509) has the molecular formula C22H31ClN4OS and a molecular weight of 435.04 g/mol. Its IUPAC name is (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID118204509
Molecular FormulaC22H31ClN4OS
Molecular Weight435.04 g/mol
Exact Mass434.19
IUPAC Name(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
SMILESCc1ccc(Nc2ncc([C@H](N[S@](=O)C(C)(C)C)C3CCCCC3)cc2Cl)cn1
InChIInChI=1S/C22H31ClN4OS/c1-15-10-11-18(14-24-15)26-21-19(23)12-17(13-25-21)20(16-8-6-5-7-9-16)27-29(28)22(2,3)4/h10-14,16,20,27H,5-9H2,1-4H3,(H,25,26)/t20-,29-/m1/s1
InChIKeyQZVDSXQTRYAQJK-ACSYHNTCSA-N
XLogP5.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.04
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide with MolForge

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Launch Full Analysis

Related Compounds

(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide
CID 118204288
(R)-N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pent-4-enyl]-2-methylpropane-2-sulfinamide
CID 118204341
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone
CID 23725759
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone
CID 23725760
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propan-2-ylpiperidin-1-yl]methanone
CID 23725808
1-cycloheptyl-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 65400041
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 23725699
2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone
CID 23725488
(S)-N-[(3-chloro-4-fluorophenyl)-[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methyl]-2-methylpropane-2-sulfinamide
CID 166114990
N-cyclohexyl-6-methylpyridin-3-amine
CID 75355981
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone
CID 23725813
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide (CID 118204509) is (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide is Cc1ccc(Nc2ncc([C@H](N[S@](=O)C(C)(C)C)C3CCCCC3)cc2Cl)cn1.
What is the InChIKey of (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is QZVDSXQTRYAQJK-ACSYHNTCSA-N. The full InChI is InChI=1S/C22H31ClN4OS/c1-15-10-11-18(14-24-15)26-21-19(23)12-17(13-25-21)20(16-8-6-5-7-9-16)27-29(28)22(2,3)4/h10-14,16,20,27H,5-9H2,1-4H3,(H,25,26)/t20-,29-/m1/s1.
What are the key properties of (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 435.04 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118204509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).