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

C8H17N5S — CID 64620404

IUPAC3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
SMILESCn1nnnc1SCC(N)C(C)(C)C
InChIInChI=1S/C8H17N5S/c1-8(2,3)6(9)5-14-7-10-11-12-13(7)4/h6H,5,9H2,1-4H3
InChIKeyXZBZQXBCKBXRHA-UHFFFAOYSA-N
MW215.33 g/mol
LogP0.68
Rot. Bonds3

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

3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine (PubChem CID 64620404) has the molecular formula C8H17N5S and a molecular weight of 215.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
PubChem CID64620404
Molecular FormulaC8H17N5S
Molecular Weight215.33 g/mol
Exact Mass215.12
IUPAC Name3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
SMILESCn1nnnc1SCC(N)C(C)(C)C
InChIInChI=1S/C8H17N5S/c1-8(2,3)6(9)5-14-7-10-11-12-13(7)4/h6H,5,9H2,1-4H3
InChIKeyXZBZQXBCKBXRHA-UHFFFAOYSA-N
XLogP0.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122
3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol
CID 115914650
2-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64620794
methyl 2-acetamido-3-(1-methyltetrazol-5-yl)sulfanylpropanoate
CID 65441814
trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
CID 63702874
N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619439
3-(2-amino-3,3-dimethylbutyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 64634515
3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine
CID 64620599
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine (CID 64620404) is 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine is Cn1nnnc1SCC(N)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine?
The InChIKey is XZBZQXBCKBXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5S/c1-8(2,3)6(9)5-14-7-10-11-12-13(7)4/h6H,5,9H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine?
3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine has a molecular weight of 215.33 g/mol, XLogP of 0.68, 3 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-methyltetrazol-5-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 64620404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).