1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide

C12H22N2O3S — CID 173076010

IUPAC1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide
SMILESCN(C)C(=CC=O)N(C)S(=O)(=O)CC1CCCC1
InChIInChI=1S/C12H22N2O3S/c1-13(2)12(8-9-15)14(3)18(16,17)10-11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3
InChIKeySIAXSXJRNOUOGG-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.04
Rot. Bonds6

About 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide

1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide (PubChem CID 173076010) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide
PubChem CID173076010
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide
SMILESCN(C)C(=CC=O)N(C)S(=O)(=O)CC1CCCC1
InChIInChI=1S/C12H22N2O3S/c1-13(2)12(8-9-15)14(3)18(16,17)10-11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3
InChIKeySIAXSXJRNOUOGG-UHFFFAOYSA-N
XLogP1.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
CID 75419186
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
cyclopentylmethanesulfonic acid;hydrochloride
CID 174643777
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79387330
1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978920
2-[cyclohexylmethylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818726
methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate
CID 54998272
N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-ethylmethanesulfonamide
CID 62008647
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240
1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide
CID 61453739

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide (CID 173076010) is 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide is CN(C)C(=CC=O)N(C)S(=O)(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide?
The InChIKey is SIAXSXJRNOUOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-13(2)12(8-9-15)14(3)18(16,17)10-11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide?
1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-(dimethylamino)-3-oxoprop-1-enyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 173076010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).