N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide

C7H14N4O2S — CID 134606433

IUPACN-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cc(N)n[nH]1
InChIInChI=1S/C7H14N4O2S/c1-5(2)14(12,13)9-4-6-3-7(8)11-10-6/h3,5,9H,4H2,1-2H3,(H3,8,10,11)
InChIKeyHDCXTWYDSPVZJV-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.18
Rot. Bonds4

About N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide

N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide (PubChem CID 134606433) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide
PubChem CID134606433
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cc(N)n[nH]1
InChIInChI=1S/C7H14N4O2S/c1-5(2)14(12,13)9-4-6-3-7(8)11-10-6/h3,5,9H,4H2,1-2H3,(H3,8,10,11)
InChIKeyHDCXTWYDSPVZJV-UHFFFAOYSA-N
XLogP-0.18
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide (CID 134606433) is N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1cc(N)n[nH]1.
What is the InChIKey of N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide?
The InChIKey is HDCXTWYDSPVZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-5(2)14(12,13)9-4-6-3-7(8)11-10-6/h3,5,9H,4H2,1-2H3,(H3,8,10,11).
What are the key properties of N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide?
N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-pyrazol-5-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 134606433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).