N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C17H28ClN3O3S — CID 119795840

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(12-18-2)17(21)19-16-8-10-20(11-9-16)24(22,23)13-15-6-4-3-5-7-15;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);1H
InChIKeyWYTPVKXDFFMXJC-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.37
Rot. Bonds7

About N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119795840) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119795840
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(12-18-2)17(21)19-16-8-10-20(11-9-16)24(22,23)13-15-6-4-3-5-7-15;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);1H
InChIKeyWYTPVKXDFFMXJC-UHFFFAOYSA-N
XLogP1.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-cyclopropylpropanamide
CID 8711888
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide;hydrochloride
CID 119330437
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438
1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 29204159
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
N-(1-benzylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 119795822
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119795840) is N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1.Cl.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is WYTPVKXDFFMXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-14(12-18-2)17(21)19-16-8-10-20(11-9-16)24(22,23)13-15-6-4-3-5-7-15;/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119795840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).