2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone

C16H28N2O3S — CID 119622254

IUPAC2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)C1CCCC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H28N2O3S/c19-16(12-22(20,21)15-3-1-2-4-15)18-9-7-14(8-10-18)17-11-13-5-6-13/h13-15,17H,1-12H2
InChIKeyYRHRCBQTTBFVTA-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.33
Rot. Bonds6

About 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone

2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone (PubChem CID 119622254) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
PubChem CID119622254
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)C1CCCC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H28N2O3S/c19-16(12-22(20,21)15-3-1-2-4-15)18-9-7-14(8-10-18)17-11-13-5-6-13/h13-15,17H,1-12H2
InChIKeyYRHRCBQTTBFVTA-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
2-cyclohexyl-1-[4-(2-cyclopropylsulfonylacetyl)piperazin-1-yl]ethanone
CID 128553058
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119622567
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 119622325
2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119414901
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119623859
3-cyclopentyl-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
CID 119622386
4-(cyclobutylmethylamino)piperidine-1-carboxamide
CID 43775245

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone (CID 119622254) is 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone is O=C(CS(=O)(=O)C1CCCC1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is YRHRCBQTTBFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c19-16(12-22(20,21)15-3-1-2-4-15)18-9-7-14(8-10-18)17-11-13-5-6-13/h13-15,17H,1-12H2.
What are the key properties of 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 328.48 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 119622254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).