2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide

C12H23N5OS — CID 40721416

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CSc1nnnn1C(C)(C)C
InChIInChI=1S/C12H23N5OS/c1-8(2)9(3)13-10(18)7-19-11-14-15-16-17(11)12(4,5)6/h8-9H,7H2,1-6H3,(H,13,18)/t9-/m1/s1
InChIKeyVYXWLIKIGBKVIF-SECBINFHSA-N
MW285.42 g/mol
LogP1.68
Rot. Bonds5

About 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 40721416) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID40721416
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CSc1nnnn1C(C)(C)C
InChIInChI=1S/C12H23N5OS/c1-8(2)9(3)13-10(18)7-19-11-14-15-16-17(11)12(4,5)6/h8-9H,7H2,1-6H3,(H,13,18)/t9-/m1/s1
InChIKeyVYXWLIKIGBKVIF-SECBINFHSA-N
XLogP1.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9407683
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098761
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
CID 27045923
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 9141655
tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate
CID 47124210
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]acetamide
CID 9379281
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 51258408
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 27045873
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 27045972
N-(3-methylbutan-2-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42932674
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 40721416) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)CSc1nnnn1C(C)(C)C.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is VYXWLIKIGBKVIF-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-8(2)9(3)13-10(18)7-19-11-14-15-16-17(11)12(4,5)6/h8-9H,7H2,1-6H3,(H,13,18)/t9-/m1/s1.
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 285.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 40721416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).