4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide

C13H25N5O2S — CID 106055228

IUPAC4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C13H25N5O2S/c1-11-13(10-15-17-11)3-2-6-16-21(19,20)18-7-4-12(9-14)5-8-18/h10,12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyNOJJPNVWEJFELT-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.16
Rot. Bonds7

About 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide

4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide (PubChem CID 106055228) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide
PubChem CID106055228
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C13H25N5O2S/c1-11-13(10-15-17-11)3-2-6-16-21(19,20)18-7-4-12(9-14)5-8-18/h10,12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyNOJJPNVWEJFELT-UHFFFAOYSA-N
XLogP0.16
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.16
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

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
4-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106015085
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111560045
4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide
CID 62037922

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide (CID 106055228) is 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide is Cc1[nH]ncc1CCCNS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is NOJJPNVWEJFELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-11-13(10-15-17-11)3-2-6-16-21(19,20)18-7-4-12(9-14)5-8-18/h10,12,16H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide?
4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106055228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).