3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide

C12H25ClN2O2S — CID 79585976

IUPAC3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H25ClN2O2S/c1-11(9-13)10-18(16,17)14-7-8-15(2)12-5-3-4-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyCYLFFYJCMAHKCM-UHFFFAOYSA-N
MW296.86 g/mol
LogP1.66
Rot. Bonds8

About 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide

3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide (PubChem CID 79585976) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
PubChem CID79585976
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC Name3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H25ClN2O2S/c1-11(9-13)10-18(16,17)14-7-8-15(2)12-5-3-4-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyCYLFFYJCMAHKCM-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
CID 79588548
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
CID 113350762
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55142009
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79588970
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
CID 79578945
3-chloro-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 79585876
3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
CID 79585815
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
CID 79580630
3-chloro-2-methyl-N-(2-phenylethyl)propane-1-sulfonamide
CID 79585541
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
CID 81245872

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide (CID 79585976) is 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide?
The InChIKey is CYLFFYJCMAHKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O2S/c1-11(9-13)10-18(16,17)14-7-8-15(2)12-5-3-4-6-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide?
3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide has a molecular weight of 296.86 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).