N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide

C10H21ClN2O2S — CID 89372469

IUPACN-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1(CNCl)CCCCC1
InChIInChI=1S/C10H21ClN2O2S/c1-16(14,15)13-8-7-10(9-12-11)5-3-2-4-6-10/h12-13H,2-9H2,1H3
InChIKeyLCBXFVQVQGZCSD-UHFFFAOYSA-N
MW268.81 g/mol
LogP1.62
Rot. Bonds6

About N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide

N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide (PubChem CID 89372469) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide
PubChem CID89372469
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC NameN-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1(CNCl)CCCCC1
InChIInChI=1S/C10H21ClN2O2S/c1-16(14,15)13-8-7-10(9-12-11)5-3-2-4-6-10/h12-13H,2-9H2,1H3
InChIKeyLCBXFVQVQGZCSD-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]methanesulfonamide
CID 9881146
N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide
CID 9899682
N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide
CID 18713993
N-(5,5,6,6-tetramethylheptyl)methanesulfonamide
CID 20706688
N-[2-[1-(aminomethyl)cycloheptyl]ethyl]methanesulfonamide
CID 21888266
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]methanesulfonamide;hydrochloride
CID 21888412
N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide
CID 23563050
N-(3-cyclohexylpropyl)methanesulfonamide
CID 53967702
N-(2-cyclohexylethyl)methanesulfonamide
CID 54538603
N-(3,3-dimethylcyclohexyl)methanesulfonamide
CID 58806263
N-[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonamide
CID 59148064
N-[(4-ethylcyclohexyl)methyl]methanesulfonamide
CID 61808805

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide (CID 89372469) is N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1(CNCl)CCCCC1.
What is the InChIKey of N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide?
The InChIKey is LCBXFVQVQGZCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-16(14,15)13-8-7-10(9-12-11)5-3-2-4-6-10/h12-13H,2-9H2,1H3.
What are the key properties of N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide?
N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide has a molecular weight of 268.81 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(chloroamino)methyl]cyclohexyl]ethyl]methanesulfonamide is sourced from PubChem (CID 89372469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).