(2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

C11H13N5OS — CID 155937474

IUPAC(2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESC[C@H](CS)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H13N5OS/c1-7(6-18)11(17)12-9-4-2-3-8(5-9)10-13-15-16-14-10/h2-5,7,18H,6H2,1H3,(H,12,17)(H,13,14,15,16)/t7-/m1/s1
InChIKeyZUTCRKIDPCRTLZ-SSDOTTSWSA-N
MW263.33 g/mol
LogP1.37
Rot. Bonds4

About (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

(2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 155937474) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID155937474
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name(2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESC[C@H](CS)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H13N5OS/c1-7(6-18)11(17)12-9-4-2-3-8(5-9)10-13-15-16-14-10/h2-5,7,18H,6H2,1H3,(H,12,17)(H,13,14,15,16)/t7-/m1/s1
InChIKeyZUTCRKIDPCRTLZ-SSDOTTSWSA-N
XLogP1.37
TPSA83.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide 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 (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 155937474) is (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is C[C@H](CS)C(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is ZUTCRKIDPCRTLZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7(6-18)11(17)12-9-4-2-3-8(5-9)10-13-15-16-14-10/h2-5,7,18H,6H2,1H3,(H,12,17)(H,13,14,15,16)/t7-/m1/s1.
What are the key properties of (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
(2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 263.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 155937474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).