3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine

C13H19N5S — CID 64648593

IUPAC3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
SMILESCC(C)(C)C(N)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5S/c1-13(2,3)11(14)9-19-12-15-16-17-18(12)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3
InChIKeyZVISZHXLJVWUHN-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.13
Rot. Bonds4

About 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine

3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine (PubChem CID 64648593) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
PubChem CID64648593
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
SMILESCC(C)(C)C(N)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5S/c1-13(2,3)11(14)9-19-12-15-16-17-18(12)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3
InChIKeyZVISZHXLJVWUHN-UHFFFAOYSA-N
XLogP2.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
CID 114370230
2-ethoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 63071022
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296
2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine
CID 123935280
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64650163
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine (CID 64648593) is 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine is CC(C)(C)C(N)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine?
The InChIKey is ZVISZHXLJVWUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-13(2,3)11(14)9-19-12-15-16-17-18(12)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine?
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine has a molecular weight of 277.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 64648593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).