1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride

C14H30ClN3O3S — CID 119430937

IUPAC1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCCNC)CC1.Cl
InChIInChI=1S/C14H29N3O3S.ClH/c1-3-4-12-21(19,20)17-10-6-13(7-11-17)14(18)16-9-5-8-15-2;/h13,15H,3-12H2,1-2H3,(H,16,18);1H
InChIKeyAGKCMVXZGZUSLU-UHFFFAOYSA-N
MW355.93 g/mol
LogP0.98
Rot. Bonds9

About 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride

1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119430937) has the molecular formula C14H30ClN3O3S and a molecular weight of 355.93 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119430937
Molecular FormulaC14H30ClN3O3S
Molecular Weight355.93 g/mol
Exact Mass355.17
IUPAC Name1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCCNC)CC1.Cl
InChIInChI=1S/C14H29N3O3S.ClH/c1-3-4-12-21(19,20)17-10-6-13(7-11-17)14(18)16-9-5-8-15-2;/h13,15H,3-12H2,1-2H3,(H,16,18);1H
InChIKeyAGKCMVXZGZUSLU-UHFFFAOYSA-N
XLogP0.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.93
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
CID 119556402
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 55778343

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride (CID 119430937) is 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride is CCCCS(=O)(=O)N1CCC(C(=O)NCCCNC)CC1.Cl.
What is the InChIKey of 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is AGKCMVXZGZUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S.ClH/c1-3-4-12-21(19,20)17-10-6-13(7-11-17)14(18)16-9-5-8-15-2;/h13,15H,3-12H2,1-2H3,(H,16,18);1H.
What are the key properties of 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride?
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 355.93 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119430937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).