N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide

C16H23NO2S — CID 106121354

IUPACN-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC1CCC(O)CC1
InChIInChI=1S/C16H23NO2S/c18-14-8-6-13(7-9-14)12-17-16(19)10-11-20-15-4-2-1-3-5-15/h1-5,13-14,18H,6-12H2,(H,17,19)
InChIKeyQKMZETSRAAQHCS-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.84
Rot. Bonds6

About N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide

N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 106121354) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
PubChem CID106121354
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC1CCC(O)CC1
InChIInChI=1S/C16H23NO2S/c18-14-8-6-13(7-9-14)12-17-16(19)10-11-20-15-4-2-1-3-5-15/h1-5,13-14,18H,6-12H2,(H,17,19)
InChIKeyQKMZETSRAAQHCS-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
3-(4-fluorophenyl)sulfanyl-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106123655
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55315732
3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
CID 100682032
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
N-[2-(oxan-4-ylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
CID 86265193
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-phenylsulfanylpropanamide
CID 71961558
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide (CID 106121354) is N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is QKMZETSRAAQHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-14-8-6-13(7-9-14)12-17-16(19)10-11-20-15-4-2-1-3-5-15/h1-5,13-14,18H,6-12H2,(H,17,19).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide?
N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 293.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 106121354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).