(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide

C15H19N5OS — CID 27096965

IUPAC(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESC[C@H](Sc1nnnn1C1CC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C15H19N5OS/c1-11(22-15-17-18-19-20(15)13-7-8-13)14(21)16-10-9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyGVXHHGZVASGZDI-NSHDSACASA-N
MW317.42 g/mol
LogP1.85
Rot. Bonds7

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

(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide (PubChem CID 27096965) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
PubChem CID27096965
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESC[C@H](Sc1nnnn1C1CC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C15H19N5OS/c1-11(22-15-17-18-19-20(15)13-7-8-13)14(21)16-10-9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyGVXHHGZVASGZDI-NSHDSACASA-N
XLogP1.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoylamino]-N-(2-phenylethyl)benzamide
CID 55541878
(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145690
1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole
CID 97313120
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51270313
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 55974390
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide
CID 55993734
(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 9002573
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234344
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
N-(2-cyanophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 46642061

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide?
The IUPAC name of (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide (CID 27096965) is (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide is C[C@H](Sc1nnnn1C1CC1)C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide?
The InChIKey is GVXHHGZVASGZDI-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(22-15-17-18-19-20(15)13-7-8-13)14(21)16-10-9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide?
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide has a molecular weight of 317.42 g/mol, XLogP of 1.85, 7 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 27096965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).