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

C17H28ClN3O3S — CID 119263670

IUPAC2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(N)C(C)C)cc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12(2)16(18)17(21)19-14-8-7-13(3)15(11-14)24(22,23)20-9-5-4-6-10-20;/h7-8,11-12,16H,4-6,9-10,18H2,1-3H3,(H,19,21);1H
InChIKeyWOXGJMVXROXBFL-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.51
Rot. Bonds5

About 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride

2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride (PubChem CID 119263670) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride
PubChem CID119263670
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(N)C(C)C)cc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12(2)16(18)17(21)19-14-8-7-13(3)15(11-14)24(22,23)20-9-5-4-6-10-20;/h7-8,11-12,16H,4-6,9-10,18H2,1-3H3,(H,19,21);1H
InChIKeyWOXGJMVXROXBFL-UHFFFAOYSA-N
XLogP2.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
5-amino-2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 120616618
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 92627242
2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
CID 119688751
1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 3941719
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
(2S)-2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide
CID 25392666

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride (CID 119263670) is 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride is Cc1ccc(NC(=O)C(N)C(C)C)cc1S(=O)(=O)N1CCCCC1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride?
The InChIKey is WOXGJMVXROXBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-12(2)16(18)17(21)19-14-8-7-13(3)15(11-14)24(22,23)20-9-5-4-6-10-20;/h7-8,11-12,16H,4-6,9-10,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride?
2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119263670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).