N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide

C16H22N2O2S — CID 61122011

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(N)=S)C2CCCCC2)c1O
InChIInChI=1S/C16H22N2O2S/c1-10-6-5-9-12(14(10)19)16(20)18-13(15(17)21)11-7-3-2-4-8-11/h5-6,9,11,13,19H,2-4,7-8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyXYACNJABBVBSIC-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.67
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide (PubChem CID 61122011) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide
PubChem CID61122011
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(N)=S)C2CCCCC2)c1O
InChIInChI=1S/C16H22N2O2S/c1-10-6-5-9-12(14(10)19)16(20)18-13(15(17)21)11-7-3-2-4-8-11/h5-6,9,11,13,19H,2-4,7-8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyXYACNJABBVBSIC-UHFFFAOYSA-N
XLogP2.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-bromo-3-methylbenzamide
CID 114023827
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
CID 61123998
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide
CID 61122787
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-bromo-3-fluorobenzamide
CID 81499388
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-4-methylbenzamide
CID 61122205
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide
CID 61123788
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-methoxypyridine-3-carboxamide
CID 62874305
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-chloro-2-hydroxybenzamide
CID 61122009
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-5-methylfuran-2-carboxamide
CID 61123403
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210336
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
CID 61124988

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide (CID 61122011) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC(C(N)=S)C2CCCCC2)c1O.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is XYACNJABBVBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10-6-5-9-12(14(10)19)16(20)18-13(15(17)21)11-7-3-2-4-8-11/h5-6,9,11,13,19H,2-4,7-8H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 306.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 61122011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).