N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide

C13H26ClNO2S — CID 55186312

IUPACN-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H26ClNO2S/c1-12(2)15(10-6-9-14)18(16,17)11-13-7-4-3-5-8-13/h12-13H,3-11H2,1-2H3
InChIKeyNHKWOABBGZOGIQ-UHFFFAOYSA-N
MW295.88 g/mol
LogP3.24
Rot. Bonds7

About N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide

N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide (PubChem CID 55186312) has the molecular formula C13H26ClNO2S and a molecular weight of 295.88 g/mol. Its IUPAC name is N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
PubChem CID55186312
Molecular FormulaC13H26ClNO2S
Molecular Weight295.88 g/mol
Exact Mass295.14
IUPAC NameN-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H26ClNO2S/c1-12(2)15(10-6-9-14)18(16,17)11-13-7-4-3-5-8-13/h12-13H,3-11H2,1-2H3
InChIKeyNHKWOABBGZOGIQ-UHFFFAOYSA-N
XLogP3.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.88
LogP ≤ 53.24
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

N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide
CID 64989097
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide
CID 64552243
N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 63396547
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65021157
N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
CID 119992202
6-chlorohexylsulfonylmethylcyclopentane
CID 63119415
N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide
CID 107492869

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide (CID 55186312) is N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCCl)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide?
The InChIKey is NHKWOABBGZOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO2S/c1-12(2)15(10-6-9-14)18(16,17)11-13-7-4-3-5-8-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide?
N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide has a molecular weight of 295.88 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 55186312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).