N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide

C17H25NOS — CID 107030989

IUPACN-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
SMILESCC1CC(C)CC(NC(=O)C(S)Cc2ccccc2)C1
InChIInChI=1S/C17H25NOS/c1-12-8-13(2)10-15(9-12)18-17(19)16(20)11-14-6-4-3-5-7-14/h3-7,12-13,15-16,20H,8-11H2,1-2H3,(H,18,19)
InChIKeyDXULDMAQOKOJPJ-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.47
Rot. Bonds4

About N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide

N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107030989) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107030989
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
SMILESCC1CC(C)CC(NC(=O)C(S)Cc2ccccc2)C1
InChIInChI=1S/C17H25NOS/c1-12-8-13(2)10-15(9-12)18-17(19)16(20)11-14-6-4-3-5-7-14/h3-7,12-13,15-16,20H,8-11H2,1-2H3,(H,18,19)
InChIKeyDXULDMAQOKOJPJ-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107023317
3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
CID 107027061
3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
CID 107033557
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107036327
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
CID 114546508
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide (CID 107030989) is N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide is CC1CC(C)CC(NC(=O)C(S)Cc2ccccc2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is DXULDMAQOKOJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-12-8-13(2)10-15(9-12)18-17(19)16(20)11-14-6-4-3-5-7-14/h3-7,12-13,15-16,20H,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide?
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 291.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107030989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).