(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

C11H21N5OS — CID 41273581

IUPAC(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCC(C)n1nnnc1S[C@@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21N5OS/c1-7(2)16-10(13-14-15-16)18-8(3)9(17)12-11(4,5)6/h7-8H,1-6H3,(H,12,17)/t8-/m0/s1
InChIKeyJBCBYOZOVPJTQI-QMMMGPOBSA-N
MW271.39 g/mol
LogP1.65
Rot. Bonds4

About (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (PubChem CID 41273581) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
PubChem CID41273581
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCC(C)n1nnnc1S[C@@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21N5OS/c1-7(2)16-10(13-14-15-16)18-8(3)9(17)12-11(4,5)6/h7-8H,1-6H3,(H,12,17)/t8-/m0/s1
InChIKeyJBCBYOZOVPJTQI-QMMMGPOBSA-N
XLogP1.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2R)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanoate
CID 129370778
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 51245310
N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 46682398
(2R)-N-[(4-methylphenyl)methyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 27139796
N-tert-butyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46625144
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide
CID 9379297
(2R)-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 26006002
(2S)-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 26006001
N-tert-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259252
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide
CID 46572655
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (CID 41273581) is (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is CC(C)n1nnnc1S[C@@H](C)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is JBCBYOZOVPJTQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-7(2)16-10(13-14-15-16)18-8(3)9(17)12-11(4,5)6/h7-8H,1-6H3,(H,12,17)/t8-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 271.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 41273581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).