N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide

C9H19N5O2S — CID 71996833

IUPACN-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide
SMILESCCCn1nnnc1CN(C)S(=O)(=O)CCC
InChIInChI=1S/C9H19N5O2S/c1-4-6-14-9(10-11-12-14)8-13(3)17(15,16)7-5-2/h4-8H2,1-3H3
InChIKeyHQUNGICOKYGJPF-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.25
Rot. Bonds7

About N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide

N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide (PubChem CID 71996833) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide
PubChem CID71996833
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC NameN-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide
SMILESCCCn1nnnc1CN(C)S(=O)(=O)CCC
InChIInChI=1S/C9H19N5O2S/c1-4-6-14-9(10-11-12-14)8-13(3)17(15,16)7-5-2/h4-8H2,1-3H3
InChIKeyHQUNGICOKYGJPF-UHFFFAOYSA-N
XLogP0.25
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide (CID 71996833) is N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide is CCCn1nnnc1CN(C)S(=O)(=O)CCC.
What is the InChIKey of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide?
The InChIKey is HQUNGICOKYGJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-4-6-14-9(10-11-12-14)8-13(3)17(15,16)7-5-2/h4-8H2,1-3H3.
What are the key properties of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide?
N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 71996833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).