4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide

C16H26N2O3S — CID 174529972

IUPAC4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide
SMILESCC(CC1(O)CCCCC1)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(11-16(19)9-3-2-4-10-16)18-22(20,21)15-7-5-14(12-17)6-8-15/h5-8,13,18-19H,2-4,9-12,17H2,1H3
InChIKeyCUOUOOGPTWTANI-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.90
Rot. Bonds6

About 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide

4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide (PubChem CID 174529972) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide
PubChem CID174529972
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide
SMILESCC(CC1(O)CCCCC1)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(11-16(19)9-3-2-4-10-16)18-22(20,21)15-7-5-14(12-17)6-8-15/h5-8,13,18-19H,2-4,9-12,17H2,1H3
InChIKeyCUOUOOGPTWTANI-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631806
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 65112746
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
2-[[4-[4-(aminomethyl)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 18914699
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685728
ethyl (2S)-2-[[4-(aminomethyl)phenyl]sulfonylamino]-4-methylpentanoate
CID 54513375
N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide
CID 63730927
4-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62116978
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
3-[(4-propylphenyl)sulfonylamino]butanethioamide
CID 62093347

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide (CID 174529972) is 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide is CC(CC1(O)CCCCC1)NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide?
The InChIKey is CUOUOOGPTWTANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(11-16(19)9-3-2-4-10-16)18-22(20,21)15-7-5-14(12-17)6-8-15/h5-8,13,18-19H,2-4,9-12,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide?
4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 174529972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).