(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide

C18H27N5O2S2 — CID 95832645

IUPAC(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cs2)cc(C)n1
InChIInChI=1S/C18H27N5O2S2/c1-5-22(6-2)27(24,25)23-9-7-8-17(23)16-11-15(10-13(3)19-16)21-18-20-14(4)12-26-18/h10-12,17H,5-9H2,1-4H3,(H,19,20,21)/t17-/m0/s1
InChIKeyOACLBKARTRAUSN-KRWDZBQOSA-N
MW409.58 g/mol
LogP3.62
Rot. Bonds7

About (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide

(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide (PubChem CID 95832645) has the molecular formula C18H27N5O2S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
PubChem CID95832645
Molecular FormulaC18H27N5O2S2
Molecular Weight409.58 g/mol
Exact Mass409.16
IUPAC Name(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cs2)cc(C)n1
InChIInChI=1S/C18H27N5O2S2/c1-5-22(6-2)27(24,25)23-9-7-8-17(23)16-11-15(10-13(3)19-16)21-18-20-14(4)12-26-18/h10-12,17H,5-9H2,1-4H3,(H,19,20,21)/t17-/m0/s1
InChIKeyOACLBKARTRAUSN-KRWDZBQOSA-N
XLogP3.62
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-1-[(2R)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832661
3-(4-methoxyphenyl)-1-[2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110262802
N,N-diethyl-4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093129
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl-[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95832706
(2-methyl-1,3-benzothiazol-6-yl)-[(2R)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95832735
[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
CID 95832823
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262789
N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
CID 110255655
(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 124976984
(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95820547

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide (CID 95832645) is (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cs2)cc(C)n1.
What is the InChIKey of (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide?
The InChIKey is OACLBKARTRAUSN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N5O2S2/c1-5-22(6-2)27(24,25)23-9-7-8-17(23)16-11-15(10-13(3)19-16)21-18-20-14(4)12-26-18/h10-12,17H,5-9H2,1-4H3,(H,19,20,21)/t17-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide?
(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide has a molecular weight of 409.58 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 95832645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).