3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one

C13H24N2O3S — CID 119580044

IUPAC3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCN1
InChIInChI=1S/C13H24N2O3S/c1-11-10-15(8-7-14-11)13(16)6-9-19(17,18)12-4-2-3-5-12/h11-12,14H,2-10H2,1H3
InChIKeyLXSVSBCMLVNFFT-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.55
Rot. Bonds4

About 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one

3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one (PubChem CID 119580044) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one
PubChem CID119580044
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCN1
InChIInChI=1S/C13H24N2O3S/c1-11-10-15(8-7-14-11)13(16)6-9-19(17,18)12-4-2-3-5-12/h11-12,14H,2-10H2,1H3
InChIKeyLXSVSBCMLVNFFT-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Aminopropanoyl)-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 50988105
2-[4-[(2-Propylsulfonylacetyl)amino]piperidin-1-yl]acetamide
CID 47378674
1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide
CID 56789827
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
4-(2-Aminopropanoyl)-1lambda6-thiomorpholine-1,1-dione
CID 43581737
N-(1,1-dioxo-4-piperidin-1-ylthiolan-3-yl)-3,3,3-trifluoropropanamide
CID 53577446
N-[(3R,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3,3-trifluoropropanamide
CID 95296973
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3,3-trifluoropropanamide
CID 95296974
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3,3-trifluoropropanamide
CID 95296975
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3,3-trifluoropropanamide
CID 95296976
2-[(1,1-dioxothian-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153353
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one (CID 119580044) is 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one is CC1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCN1.
What is the InChIKey of 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one?
The InChIKey is LXSVSBCMLVNFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-11-10-15(8-7-14-11)13(16)6-9-19(17,18)12-4-2-3-5-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one?
3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one has a molecular weight of 288.41 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 119580044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).