4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine

C6H10F3N5S — CID 43753404

IUPAC4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine
SMILESCn1nnnc1SC(CCN)C(F)(F)F
InChIInChI=1S/C6H10F3N5S/c1-14-5(11-12-13-14)15-4(2-3-10)6(7,8)9/h4H,2-3,10H2,1H3
InChIKeyGWZKCTDIKBBUSF-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.58
Rot. Bonds4

About 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine

4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine (PubChem CID 43753404) has the molecular formula C6H10F3N5S and a molecular weight of 241.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine
PubChem CID43753404
Molecular FormulaC6H10F3N5S
Molecular Weight241.24 g/mol
Exact Mass241.06
IUPAC Name4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine
SMILESCn1nnnc1SC(CCN)C(F)(F)F
InChIInChI=1S/C6H10F3N5S/c1-14-5(11-12-13-14)15-4(2-3-10)6(7,8)9/h4H,2-3,10H2,1H3
InChIKeyGWZKCTDIKBBUSF-UHFFFAOYSA-N
XLogP0.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine (CID 43753404) is 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine is Cn1nnnc1SC(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine?
The InChIKey is GWZKCTDIKBBUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5S/c1-14-5(11-12-13-14)15-4(2-3-10)6(7,8)9/h4H,2-3,10H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine?
4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine has a molecular weight of 241.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(1-methyltetrazol-5-yl)sulfanylbutan-1-amine is sourced from PubChem (CID 43753404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).