4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide

C17H26N2O2S — CID 119327228

IUPAC4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(CS(=O)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O2S/c18-11-5-10-17(20)19-15-7-4-6-14(12-15)13-22(21)16-8-2-1-3-9-16/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20)
InChIKeyUXZLJVJFQDKLNT-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.95
Rot. Bonds7

About 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide

4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide (PubChem CID 119327228) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
PubChem CID119327228
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(CS(=O)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O2S/c18-11-5-10-17(20)19-15-7-4-6-14(12-15)13-22(21)16-8-2-1-3-9-16/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20)
InChIKeyUXZLJVJFQDKLNT-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
CID 81333991
N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123
N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
CID 81333278
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
CID 119333559
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
CID 119327208
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86963458
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-(cyclohexylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119789972
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86963463
4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
CID 119327284
1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea
CID 95980460

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide (CID 119327228) is 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide is NCCCC(=O)Nc1cccc(CS(=O)C2CCCCC2)c1.
What is the InChIKey of 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide?
The InChIKey is UXZLJVJFQDKLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c18-11-5-10-17(20)19-15-7-4-6-14(12-15)13-22(21)16-8-2-1-3-9-16/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20).
What are the key properties of 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide?
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide has a molecular weight of 322.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide is sourced from PubChem (CID 119327228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).