3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride

C15H29ClN2O3S — CID 119546220

IUPAC3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1.Cl
InChIInChI=1S/C15H28N2O3S.ClH/c1-16-12-13-6-9-17(10-7-13)15(18)8-11-21(19,20)14-4-2-3-5-14;/h13-14,16H,2-12H2,1H3;1H
InChIKeyRMVPSYVNOUKWRR-UHFFFAOYSA-N
MW352.93 g/mol
LogP1.61
Rot. Bonds6

About 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride

3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119546220) has the molecular formula C15H29ClN2O3S and a molecular weight of 352.93 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119546220
Molecular FormulaC15H29ClN2O3S
Molecular Weight352.93 g/mol
Exact Mass352.16
IUPAC Name3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1.Cl
InChIInChI=1S/C15H28N2O3S.ClH/c1-16-12-13-6-9-17(10-7-13)15(18)8-11-21(19,20)14-4-2-3-5-14;/h13-14,16H,2-12H2,1H3;1H
InChIKeyRMVPSYVNOUKWRR-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentylsulfonyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119398208
1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119412753
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119520216
4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119546844
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
CID 56803132
1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63250982
N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
CID 119546523
3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 71941305
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 119546220) is 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride is CNCC1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1.Cl.
What is the InChIKey of 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is RMVPSYVNOUKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S.ClH/c1-16-12-13-6-9-17(10-7-13)15(18)8-11-21(19,20)14-4-2-3-5-14;/h13-14,16H,2-12H2,1H3;1H.
What are the key properties of 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119546220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).