(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide

C13H27NOS — CID 124563966

IUPAC(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@H](N[S@@](=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C13H27NOS/c1-5-12(11-9-7-6-8-10-11)14-16(15)13(2,3)4/h11-12,14H,5-10H2,1-4H3/t12-,16+/m1/s1
InChIKeyRULZHACKNAFPFT-WBMJQRKESA-N
MW245.43 g/mol
LogP3.40
Rot. Bonds4

About (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide (PubChem CID 124563966) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide
PubChem CID124563966
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@H](N[S@@](=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C13H27NOS/c1-5-12(11-9-7-6-8-10-11)14-16(15)13(2,3)4/h11-12,14H,5-10H2,1-4H3/t12-,16+/m1/s1
InChIKeyRULZHACKNAFPFT-WBMJQRKESA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide
CID 138706841
N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416910
tert-butyl 3-[(1S)-1-(tert-butylsulfinylamino)propyl]azetidine-1-carboxylate
CID 137370714
N-(1-cyclohexylpropyl)-1-methoxy-2-methylpropan-2-amine
CID 115919770
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
N-(1-cyclohexylpropyl)acetamide
CID 45119320
N-(1-cyclohexylpropyl)-2-(ethylamino)-2-methylpropanamide
CID 62834265
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
3-(1-cyclohexylpropylamino)-3-methylbutan-1-ol
CID 115920572
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
CID 62405641
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide (CID 124563966) is (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide is CC[C@@H](N[S@@](=O)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RULZHACKNAFPFT-WBMJQRKESA-N. The full InChI is InChI=1S/C13H27NOS/c1-5-12(11-9-7-6-8-10-11)14-16(15)13(2,3)4/h11-12,14H,5-10H2,1-4H3/t12-,16+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 245.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 124563966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).