5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide

C12H23N5O2S — CID 60810408

IUPAC5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
SMILESCC1CCCCN1CCCNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C12H23N5O2S/c1-10-5-2-3-7-17(10)8-4-6-15-20(18,19)11-9-14-16-12(11)13/h9-10,15H,2-8H2,1H3,(H3,13,14,16)
InChIKeyDANDDAZHZBKWLB-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.53
Rot. Bonds6

About 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60810408) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
PubChem CID60810408
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
SMILESCC1CCCCN1CCCNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C12H23N5O2S/c1-10-5-2-3-7-17(10)8-4-6-15-20(18,19)11-9-14-16-12(11)13/h9-10,15H,2-8H2,1H3,(H3,13,14,16)
InChIKeyDANDDAZHZBKWLB-UHFFFAOYSA-N
XLogP0.53
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide
CID 124853404
4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 3835146
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 107650620
5-amino-N-cyclopentyl-1H-pyrazole-4-sulfonamide
CID 60814197
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 51221562
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide (CID 60810408) is 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide is CC1CCCCN1CCCNS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is DANDDAZHZBKWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-10-5-2-3-7-17(10)8-4-6-15-20(18,19)11-9-14-16-12(11)13/h9-10,15H,2-8H2,1H3,(H3,13,14,16).
What are the key properties of 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60810408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).