N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide

C14H19NO2S — CID 107031044

IUPACN-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(S)cc1
InChIInChI=1S/C14H19NO2S/c16-13-4-2-1-3-11(13)9-15-14(17)10-5-7-12(18)8-6-10/h5-8,11,13,16,18H,1-4,9H2,(H,15,17)
InChIKeyLXVYEGQWZVUKEZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.26
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide

N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide (PubChem CID 107031044) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
PubChem CID107031044
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(S)cc1
InChIInChI=1S/C14H19NO2S/c16-13-4-2-1-3-11(13)9-15-14(17)10-5-7-12(18)8-6-10/h5-8,11,13,16,18H,1-4,9H2,(H,15,17)
InChIKeyLXVYEGQWZVUKEZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
N-[(2-hydroxycyclopentyl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 111464001
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99606006
N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540657
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide (CID 107031044) is N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide is O=C(NCC1CCCCC1O)c1ccc(S)cc1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide?
The InChIKey is LXVYEGQWZVUKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13-4-2-1-3-11(13)9-15-14(17)10-5-7-12(18)8-6-10/h5-8,11,13,16,18H,1-4,9H2,(H,15,17).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide?
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide has a molecular weight of 265.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide is sourced from PubChem (CID 107031044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).