4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide

C13H25N5O2S — CID 106015942

IUPAC4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCN(S(=O)(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C13H25N5O2S/c1-2-5-14-8-12-3-6-18(7-4-12)21(19,20)17-11-13-9-15-16-10-13/h9-10,12,14,17H,2-8,11H2,1H3,(H,15,16)
InChIKeyINWXBSYUKDQZKG-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.46
Rot. Bonds8

About 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide

4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106015942) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID106015942
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCN(S(=O)(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C13H25N5O2S/c1-2-5-14-8-12-3-6-18(7-4-12)21(19,20)17-11-13-9-15-16-10-13/h9-10,12,14,17H,2-8,11H2,1H3,(H,15,16)
InChIKeyINWXBSYUKDQZKG-UHFFFAOYSA-N
XLogP0.46
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106423900
N',N'-dimethyl-4-(propylaminomethyl)piperidine-1-sulfonohydrazide
CID 114141798
4-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106015085
N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409103
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016123
N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078679
3-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106013521
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63877764
N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144
2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
CID 61458135

Frequently Asked Questions

What is the IUPAC name of 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide (CID 106015942) is 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide is CCCNCC1CCN(S(=O)(=O)NCc2cn[nH]c2)CC1.
What is the InChIKey of 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is INWXBSYUKDQZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-2-5-14-8-12-3-6-18(7-4-12)21(19,20)17-11-13-9-15-16-10-13/h9-10,12,14,17H,2-8,11H2,1H3,(H,15,16).
What are the key properties of 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106015942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).