2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride

C13H26ClN3O3S — CID 119341231

IUPAC2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1.Cl
InChIInChI=1S/C13H25N3O3S.ClH/c1-2-3-12(14)13(17)15-10-6-8-16(9-7-10)20(18,19)11-4-5-11;/h10-12H,2-9,14H2,1H3,(H,15,17);1H
InChIKeyYDULQPSCPLHXRT-UHFFFAOYSA-N
MW339.89 g/mol
LogP0.61
Rot. Bonds6

About 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride

2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride (PubChem CID 119341231) has the molecular formula C13H26ClN3O3S and a molecular weight of 339.89 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride
PubChem CID119341231
Molecular FormulaC13H26ClN3O3S
Molecular Weight339.89 g/mol
Exact Mass339.14
IUPAC Name2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1.Cl
InChIInChI=1S/C13H25N3O3S.ClH/c1-2-3-12(14)13(17)15-10-6-8-16(9-7-10)20(18,19)11-4-5-11;/h10-12H,2-9,14H2,1H3,(H,15,17);1H
InChIKeyYDULQPSCPLHXRT-UHFFFAOYSA-N
XLogP0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279
ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
CID 93255529
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43711915
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059
1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304288
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride (CID 119341231) is 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride is CCCC(N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1.Cl.
What is the InChIKey of 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride?
The InChIKey is YDULQPSCPLHXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S.ClH/c1-2-3-12(14)13(17)15-10-6-8-16(9-7-10)20(18,19)11-4-5-11;/h10-12H,2-9,14H2,1H3,(H,15,17);1H.
What are the key properties of 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride?
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119341231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).