N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide

C11H20ClNO2S — CID 65032688

IUPACN-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCC1CCCCC1Cl
InChIInChI=1S/C11H20ClNO2S/c12-11-4-2-1-3-10(11)7-13-16(14,15)8-9-5-6-9/h9-11,13H,1-8H2
InChIKeyOQRCOEYLLNBGPM-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.11
Rot. Bonds5

About N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide

N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide (PubChem CID 65032688) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide
PubChem CID65032688
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCC1CCCCC1Cl
InChIInChI=1S/C11H20ClNO2S/c12-11-4-2-1-3-10(11)7-13-16(14,15)8-9-5-6-9/h9-11,13H,1-8H2
InChIKeyOQRCOEYLLNBGPM-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 64929835
N-[(2-chlorocyclohexyl)methyl]cyclopentanesulfonamide
CID 105361712
N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
CID 114295370
N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide
CID 65032886
N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide
CID 66005889
N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521739
N-[(3-chlorocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 114148320
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600521
1-cyclopropyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734181
1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734539
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
1-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 114955890

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide (CID 65032688) is N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is OQRCOEYLLNBGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c12-11-4-2-1-3-10(11)7-13-16(14,15)8-9-5-6-9/h9-11,13H,1-8H2.
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide?
N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 265.81 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 65032688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).