(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H15N5OS — CID 7042204

IUPAC(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1C)C(=O)NCc1ccccc1
InChIInChI=1S/C12H15N5OS/c1-9(19-12-14-15-16-17(12)2)11(18)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,18)/t9-/m0/s1
InChIKeyJMEYVLGZJVBVMW-VIFPVBQESA-N
MW277.35 g/mol
LogP1.01
Rot. Bonds5

About (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 7042204) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID7042204
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1C)C(=O)NCc1ccccc1
InChIInChI=1S/C12H15N5OS/c1-9(19-12-14-15-16-17(12)2)11(18)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,18)/t9-/m0/s1
InChIKeyJMEYVLGZJVBVMW-VIFPVBQESA-N
XLogP1.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2080305
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 24520234
(2S)-N-[(4-methylphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274463
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153
(2R)-N-[(4-methylphenyl)methyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 27139796
(2S)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzylpropanamide
CID 7863346
(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 40751028
N-benzyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640571
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51270313
(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
(2S)-N-benzyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7427460

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 7042204) is (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is C[C@H](Sc1nnnn1C)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is JMEYVLGZJVBVMW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9(19-12-14-15-16-17(12)2)11(18)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,18)/t9-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 7042204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).