N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide

C12H21N5O3S — CID 61108039

IUPACN-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H21N5O3S/c1-2-3-11(18)15-9-4-6-17(7-5-9)21(19,20)10-8-14-16-12(10)13/h8-9H,2-7H2,1H3,(H,15,18)(H3,13,14,16)
InChIKeyHCMPJHLOWNFORY-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.06
Rot. Bonds5

About N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide

N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide (PubChem CID 61108039) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide
PubChem CID61108039
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC NameN-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H21N5O3S/c1-2-3-11(18)15-9-4-6-17(7-5-9)21(19,20)10-8-14-16-12(10)13/h8-9H,2-7H2,1H3,(H,15,18)(H3,13,14,16)
InChIKeyHCMPJHLOWNFORY-UHFFFAOYSA-N
XLogP0.06
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide (CID 61108039) is N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide?
The InChIKey is HCMPJHLOWNFORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-2-3-11(18)15-9-4-6-17(7-5-9)21(19,20)10-8-14-16-12(10)13/h8-9H,2-7H2,1H3,(H,15,18)(H3,13,14,16).
What are the key properties of N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide?
N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide has a molecular weight of 315.40 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 61108039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).