(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide

C9H15N5OS — CID 25481373

IUPAC(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)Sc1nnnn1C1CC1
InChIInChI=1S/C9H15N5OS/c1-3-10-8(15)6(2)16-9-11-12-13-14(9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,15)/t6-/m0/s1
InChIKeyNYWGKNSDIMSUAE-LURJTMIESA-N
MW241.32 g/mol
LogP0.62
Rot. Bonds5

About (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide

(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide (PubChem CID 25481373) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide
PubChem CID25481373
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)Sc1nnnn1C1CC1
InChIInChI=1S/C9H15N5OS/c1-3-10-8(15)6(2)16-9-11-12-13-14(9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,15)/t6-/m0/s1
InChIKeyNYWGKNSDIMSUAE-LURJTMIESA-N
XLogP0.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide 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-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide?
The IUPAC name of (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide (CID 25481373) is (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide is CCNC(=O)[C@H](C)Sc1nnnn1C1CC1.
What is the InChIKey of (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide?
The InChIKey is NYWGKNSDIMSUAE-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N5OS/c1-3-10-8(15)6(2)16-9-11-12-13-14(9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,15)/t6-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide?
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide has a molecular weight of 241.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 25481373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).