1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide

C9H18ClNO3S — CID 65123212

IUPAC1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)CCl)CC1
InChIInChI=1S/C9H18ClNO3S/c1-8-2-4-9(12,5-3-8)6-11-15(13,14)7-10/h8,11-12H,2-7H2,1H3
InChIKeyRZVJMMJFCVOMDG-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.04
Rot. Bonds4

About 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide

1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide (PubChem CID 65123212) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
PubChem CID65123212
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)CCl)CC1
InChIInChI=1S/C9H18ClNO3S/c1-8-2-4-9(12,5-3-8)6-11-15(13,14)7-10/h8,11-12H,2-7H2,1H3
InChIKeyRZVJMMJFCVOMDG-UHFFFAOYSA-N
XLogP1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide
CID 65123213
N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
CID 65121537
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
1-[(cyclopropylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114809564
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4-methylcyclohexane
CID 65121626
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121440
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 65123017
2,4-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121246

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide (CID 65123212) is 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide is CC1CCC(O)(CNS(=O)(=O)CCl)CC1.
What is the InChIKey of 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide?
The InChIKey is RZVJMMJFCVOMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-8-2-4-9(12,5-3-8)6-11-15(13,14)7-10/h8,11-12H,2-7H2,1H3.
What are the key properties of 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide?
1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide has a molecular weight of 255.77 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 65123212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).