2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide

C13H18N6OS — CID 64711465

IUPAC2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide
SMILESCC(CC(C)(N)C(N)=O)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C13H18N6OS/c1-9(8-13(2,15)11(14)20)21-12-16-17-18-19(12)10-6-4-3-5-7-10/h3-7,9H,8,15H2,1-2H3,(H2,14,20)
InChIKeySHLVPXPASFHQAM-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.74
Rot. Bonds6

About 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide

2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide (PubChem CID 64711465) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide
PubChem CID64711465
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide
SMILESCC(CC(C)(N)C(N)=O)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C13H18N6OS/c1-9(8-13(2,15)11(14)20)21-12-16-17-18-19(12)10-6-4-3-5-7-10/h3-7,9H,8,15H2,1-2H3,(H2,14,20)
InChIKeySHLVPXPASFHQAM-UHFFFAOYSA-N
XLogP0.74
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 134037851
2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid
CID 64709292
3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
CID 114370230
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
ethyl 2-fluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 79357235
3-(1-phenyltetrazol-5-yl)sulfanylpentanoic acid
CID 63098412
4-amino-2-(1-phenyltetrazol-5-yl)sulfanylbutanoic acid
CID 64695475
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 43753027
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide?
The IUPAC name of 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide (CID 64711465) is 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide.
What is the SMILES notation for 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide?
The canonical SMILES for 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide is CC(CC(C)(N)C(N)=O)Sc1nnnn1-c1ccccc1.
What is the InChIKey of 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide?
The InChIKey is SHLVPXPASFHQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-9(8-13(2,15)11(14)20)21-12-16-17-18-19(12)10-6-4-3-5-7-10/h3-7,9H,8,15H2,1-2H3,(H2,14,20).
What are the key properties of 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide?
2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide has a molecular weight of 306.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide is sourced from PubChem (CID 64711465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).