N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H21N5OS — CID 4878913

IUPACN-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C)C(=O)NCC1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-9(19-12-14-15-16-17(12)2)11(18)13-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,18)
InChIKeyXYXAFCZMUGEBLB-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.39
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 4878913) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID4878913
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C)C(=O)NCC1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-9(19-12-14-15-16-17(12)2)11(18)13-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,18)
InChIKeyXYXAFCZMUGEBLB-UHFFFAOYSA-N
XLogP1.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide 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-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 4878913) is N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1C)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is XYXAFCZMUGEBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-9(19-12-14-15-16-17(12)2)11(18)13-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,18).
What are the key properties of N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 4878913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).