2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride

C12H23ClN2O3S — CID 119414901

IUPAC2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CS(=O)(=O)C1CCCC1)N1CCCNCC1
InChIInChI=1S/C12H22N2O3S.ClH/c15-12(14-8-3-6-13-7-9-14)10-18(16,17)11-4-1-2-5-11;/h11,13H,1-10H2;1H
InChIKeyUADUUFAXFBCKMY-UHFFFAOYSA-N
MW310.85 g/mol
LogP0.59
Rot. Bonds3

About 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride

2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride (PubChem CID 119414901) has the molecular formula C12H23ClN2O3S and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
PubChem CID119414901
Molecular FormulaC12H23ClN2O3S
Molecular Weight310.85 g/mol
Exact Mass310.11
IUPAC Name2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CS(=O)(=O)C1CCCC1)N1CCCNCC1
InChIInChI=1S/C12H22N2O3S.ClH/c15-12(14-8-3-6-13-7-9-14)10-18(16,17)11-4-1-2-5-11;/h11,13H,1-10H2;1H
InChIKeyUADUUFAXFBCKMY-UHFFFAOYSA-N
XLogP0.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
2-(1,4-diazepan-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 119418702
2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone
CID 128553058
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclopentanesulfonamide
CID 115752221
2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119622254
3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580044
(3S,4S)-1-(2-cyclopentylsulfonylacetyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952453
1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097
2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 119417879
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride (CID 119414901) is 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride is Cl.O=C(CS(=O)(=O)C1CCCC1)N1CCCNCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride?
The InChIKey is UADUUFAXFBCKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S.ClH/c15-12(14-8-3-6-13-7-9-14)10-18(16,17)11-4-1-2-5-11;/h11,13H,1-10H2;1H.
What are the key properties of 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride?
2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119414901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).