N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine

C7H15N5S — CID 64619824

IUPACN-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
SMILESCNC(C)CCSc1nnnn1C
InChIInChI=1S/C7H15N5S/c1-6(8-2)4-5-13-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3
InChIKeyZVTNNBAAQYNULI-UHFFFAOYSA-N
MW201.30 g/mol
LogP0.30
Rot. Bonds5

About N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine

N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine (PubChem CID 64619824) has the molecular formula C7H15N5S and a molecular weight of 201.30 g/mol. Its IUPAC name is N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
PubChem CID64619824
Molecular FormulaC7H15N5S
Molecular Weight201.30 g/mol
Exact Mass201.10
IUPAC NameN-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
SMILESCNC(C)CCSc1nnnn1C
InChIInChI=1S/C7H15N5S/c1-6(8-2)4-5-13-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3
InChIKeyZVTNNBAAQYNULI-UHFFFAOYSA-N
XLogP0.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine?
The IUPAC name of N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine (CID 64619824) is N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine?
The canonical SMILES for N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine is CNC(C)CCSc1nnnn1C.
What is the InChIKey of N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine?
The InChIKey is ZVTNNBAAQYNULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S/c1-6(8-2)4-5-13-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3.
What are the key properties of N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine?
N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine has a molecular weight of 201.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 64619824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).