(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C15H30ClN3O3S — CID 119488511

IUPAC(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)N1CCCC(NC)C1.Cl
InChIInChI=1S/C15H29N3O3S.ClH/c1-3-4-11-22(20,21)18-10-6-8-14(18)15(19)17-9-5-7-13(12-17)16-2;/h13-14,16H,3-12H2,1-2H3;1H
InChIKeyDGQFWITYHDWJBN-UHFFFAOYSA-N
MW367.94 g/mol
LogP1.21
Rot. Bonds6

About (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119488511) has the molecular formula C15H30ClN3O3S and a molecular weight of 367.94 g/mol. Its IUPAC name is (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119488511
Molecular FormulaC15H30ClN3O3S
Molecular Weight367.94 g/mol
Exact Mass367.17
IUPAC Name(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)N1CCCC(NC)C1.Cl
InChIInChI=1S/C15H29N3O3S.ClH/c1-3-4-11-22(20,21)18-10-6-8-14(18)15(19)17-9-5-7-13(12-17)16-2;/h13-14,16H,3-12H2,1-2H3;1H
InChIKeyDGQFWITYHDWJBN-UHFFFAOYSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.94
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
CID 110285824
1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119487872
1-butylsulfonyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119500648
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119489304
(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119490463
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773

Frequently Asked Questions

What is the IUPAC name of (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119488511) is (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CCCCS(=O)(=O)N1CCCC1C(=O)N1CCCC(NC)C1.Cl.
What is the InChIKey of (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is DGQFWITYHDWJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S.ClH/c1-3-4-11-22(20,21)18-10-6-8-14(18)15(19)17-9-5-7-13(12-17)16-2;/h13-14,16H,3-12H2,1-2H3;1H.
What are the key properties of (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 367.94 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119488511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).