N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide

C12H25NO3S — CID 65121537

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C12H25NO3S/c1-3-4-9-17(15,16)13-10-12(14)7-5-11(2)6-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyHBDPFDHYQGZFNA-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.65
Rot. Bonds6

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide (PubChem CID 65121537) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
PubChem CID65121537
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C12H25NO3S/c1-3-4-9-17(15,16)13-10-12(14)7-5-11(2)6-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyHBDPFDHYQGZFNA-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide
CID 65123213
1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
CID 65123212
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
1-[(cyclopropylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114809564
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
CID 65121314
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4-methylcyclohexane
CID 65121626
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide (CID 65121537) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide?
The InChIKey is HBDPFDHYQGZFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-4-9-17(15,16)13-10-12(14)7-5-11(2)6-8-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 65121537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).