3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride

C15H24ClN3O3S — CID 119263648

IUPAC3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN)cc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-12-5-6-13(17-15(19)7-8-16)11-14(12)22(20,21)18-9-3-2-4-10-18;/h5-6,11H,2-4,7-10,16H2,1H3,(H,17,19);1H
InChIKeyYBECWCZRQDQZSN-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.88
Rot. Bonds5

About 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride

3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride (PubChem CID 119263648) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
PubChem CID119263648
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN)cc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-12-5-6-13(17-15(19)7-8-16)11-14(12)22(20,21)18-9-3-2-4-10-18;/h5-6,11H,2-4,7-10,16H2,1H3,(H,17,19);1H
InChIKeyYBECWCZRQDQZSN-UHFFFAOYSA-N
XLogP1.88
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55329553
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 24635501
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide
CID 24620463
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride (CID 119263648) is 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride is Cc1ccc(NC(=O)CCN)cc1S(=O)(=O)N1CCCCC1.Cl.
What is the InChIKey of 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The InChIKey is YBECWCZRQDQZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-12-5-6-13(17-15(19)7-8-16)11-14(12)22(20,21)18-9-3-2-4-10-18;/h5-6,11H,2-4,7-10,16H2,1H3,(H,17,19);1H.
What are the key properties of 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119263648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).