N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

C17H31N5O3S — CID 119588598

About N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 119588598) has the molecular formula C17H31N5O3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
• PubChem CID: 119588598
• Molecular Formula: C17H31N5O3S
• Molecular Weight: 385.53 g/mol
• Exact Mass: 385.21
• IUPAC Name: N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
• SMILES: Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC(CN)CC(C)C)C1
• InChI: InChI=1S/C17H31N5O3S/c1-11(2)8-15(9-18)19-17(23)14-6-5-7-22(10-14)26(24,25)16-12(3)20-21-13(16)4/h11,14-15H,5-10,18H2,1-4H3,(H,19,23)(H,20,21)
• InChIKey: DBESYKYVYBGYJM-UHFFFAOYSA-N
• XLogP: 0.92
• TPSA: 121.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.53
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?

The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 119588598) is N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?

The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC(CN)CC(C)C)C1.

What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?

The InChIKey is DBESYKYVYBGYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3S/c1-11(2)8-15(9-18)19-17(23)14-6-5-7-22(10-14)26(24,25)16-12(3)20-21-13(16)4/h11,14-15H,5-10,18H2,1-4H3,(H,19,23)(H,20,21).

What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?

N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119588598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).