(S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide

C11H21N3OS — CID 134249457

IUPAC(S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@H](N[S@@](=O)C(C)(C)C)c1cnc[nH]1
InChIInChI=1S/C11H21N3OS/c1-8(2)10(9-6-12-7-13-9)14-16(15)11(3,4)5/h6-8,10,14H,1-5H3,(H,12,13)/t10-,16-/m0/s1
InChIKeyAVQBSQJEBGNYIR-QFYYESIMSA-N
MW243.38 g/mol
LogP2.16
Rot. Bonds4

About (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide (PubChem CID 134249457) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
PubChem CID134249457
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name(S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@H](N[S@@](=O)C(C)(C)C)c1cnc[nH]1
InChIInChI=1S/C11H21N3OS/c1-8(2)10(9-6-12-7-13-9)14-16(15)11(3,4)5/h6-8,10,14H,1-5H3,(H,12,13)/t10-,16-/m0/s1
InChIKeyAVQBSQJEBGNYIR-QFYYESIMSA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169199174
N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170165583
(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
CID 163838446
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine
CID 176541381
hydroxy(1H-imidazol-5-yl)methanesulfinic acid
CID 45120574
(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
CID 10447569
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
(R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 135061289

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide (CID 134249457) is (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide is CC(C)[C@H](N[S@@](=O)C(C)(C)C)c1cnc[nH]1.
What is the InChIKey of (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The InChIKey is AVQBSQJEBGNYIR-QFYYESIMSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(2)10(9-6-12-7-13-9)14-16(15)11(3,4)5/h6-8,10,14H,1-5H3,(H,12,13)/t10-,16-/m0/s1.
What are the key properties of (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 243.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1S)-1-(1H-imidazol-5-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134249457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).