N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide

C9H18N4O2S — CID 79504385

IUPACN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1c(CN)cnn1C
InChIInChI=1S/C9H18N4O2S/c1-7(2)6-16(14,15)12-9-8(4-10)5-11-13(9)3/h5,7,12H,4,6,10H2,1-3H3
InChIKeyPYOMYBFCYLJDNS-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.28
Rot. Bonds5

About N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide

N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide (PubChem CID 79504385) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide
PubChem CID79504385
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1c(CN)cnn1C
InChIInChI=1S/C9H18N4O2S/c1-7(2)6-16(14,15)12-9-8(4-10)5-11-13(9)3/h5,7,12H,4,6,10H2,1-3H3
InChIKeyPYOMYBFCYLJDNS-UHFFFAOYSA-N
XLogP0.28
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide (CID 79504385) is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1c(CN)cnn1C.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is PYOMYBFCYLJDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-7(2)6-16(14,15)12-9-8(4-10)5-11-13(9)3/h5,7,12H,4,6,10H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide?
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79504385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).