1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide

C9H18ClNO2S — CID 63666438

IUPAC1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)CCl)C1
InChIInChI=1S/C9H18ClNO2S/c1-8-4-3-5-9(6-8)11(2)14(12,13)7-10/h8-9H,3-7H2,1-2H3
InChIKeyINZVDVVHJFWAJN-UHFFFAOYSA-N
MW239.77 g/mol
LogP2.02
Rot. Bonds3

About 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide

1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide (PubChem CID 63666438) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
PubChem CID63666438
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)CCl)C1
InChIInChI=1S/C9H18ClNO2S/c1-8-4-3-5-9(6-8)11(2)14(12,13)7-10/h8-9H,3-7H2,1-2H3
InChIKeyINZVDVVHJFWAJN-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-(3-methylcyclohexyl)ethanesulfonamide
CID 61446864
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446893
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79885487
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444933
2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444342
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61447746
N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide
CID 34136811
4-chloro-2-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 114846499

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide (CID 63666438) is 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide is CC1CCCC(N(C)S(=O)(=O)CCl)C1.
What is the InChIKey of 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The InChIKey is INZVDVVHJFWAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8-4-3-5-9(6-8)11(2)14(12,13)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 63666438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).