5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine

C12H23N5S — CID 64648944

IUPAC5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCSc1nnnn1C1CC1
InChIInChI=1S/C12H23N5S/c1-3-8-13-10(2)5-4-9-18-12-14-15-16-17(12)11-6-7-11/h10-11,13H,3-9H2,1-2H3
InChIKeyXMUBJQODCMYGBM-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.27
Rot. Bonds9

About 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine

5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine (PubChem CID 64648944) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
PubChem CID64648944
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCSc1nnnn1C1CC1
InChIInChI=1S/C12H23N5S/c1-3-8-13-10(2)5-4-9-18-12-14-15-16-17(12)11-6-7-11/h10-11,13H,3-9H2,1-2H3
InChIKeyXMUBJQODCMYGBM-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine 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 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine?
The IUPAC name of 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine (CID 64648944) is 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine is CCCNC(C)CCCSc1nnnn1C1CC1.
What is the InChIKey of 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine?
The InChIKey is XMUBJQODCMYGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-3-8-13-10(2)5-4-9-18-12-14-15-16-17(12)11-6-7-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine?
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine has a molecular weight of 269.42 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 64648944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).