(4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide

C18H29NOS — CID 140734069

IUPAC(4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide
SMILESCc1ccccc1CNS(=O)C(C)(C)C[C@H](C)C1CCC1
InChIInChI=1S/C18H29NOS/c1-14-8-5-6-9-17(14)13-19-21(20)18(3,4)12-15(2)16-10-7-11-16/h5-6,8-9,15-16,19H,7,10-13H2,1-4H3/t15-,21?/m0/s1
InChIKeyAUIQGOKOBVWENI-ZDGMYTEDSA-N
MW307.50 g/mol
LogP4.35
Rot. Bonds7

About (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide

(4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide (PubChem CID 140734069) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide
PubChem CID140734069
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name(4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide
SMILESCc1ccccc1CNS(=O)C(C)(C)C[C@H](C)C1CCC1
InChIInChI=1S/C18H29NOS/c1-14-8-5-6-9-17(14)13-19-21(20)18(3,4)12-15(2)16-10-7-11-16/h5-6,8-9,15-16,19H,7,10-13H2,1-4H3/t15-,21?/m0/s1
InChIKeyAUIQGOKOBVWENI-ZDGMYTEDSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
(2S)-2-[cyclohexyl-[(2-methylphenyl)methylamino]amino]propanal
CID 173308162
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
CID 63543365
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
CID 63542153
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83159965
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80898763

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide?
The IUPAC name of (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide (CID 140734069) is (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide.
What is the SMILES notation for (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide?
The canonical SMILES for (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide is Cc1ccccc1CNS(=O)C(C)(C)C[C@H](C)C1CCC1.
What is the InChIKey of (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide?
The InChIKey is AUIQGOKOBVWENI-ZDGMYTEDSA-N. The full InChI is InChI=1S/C18H29NOS/c1-14-8-5-6-9-17(14)13-19-21(20)18(3,4)12-15(2)16-10-7-11-16/h5-6,8-9,15-16,19H,7,10-13H2,1-4H3/t15-,21?/m0/s1.
What are the key properties of (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide?
(4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide has a molecular weight of 307.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclobutyl-2-methyl-N-[(2-methylphenyl)methyl]pentane-2-sulfinamide is sourced from PubChem (CID 140734069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).