2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine

C10H19N5S — CID 64647783

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine
SMILESCCC(NC)C(C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H19N5S/c1-4-9(11-3)7(2)16-10-12-13-14-15(10)8-5-6-8/h7-9,11H,4-6H2,1-3H3
InChIKeyNGBFDFSHXRSDDI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.49
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine (PubChem CID 64647783) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine
PubChem CID64647783
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine
SMILESCCC(NC)C(C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H19N5S/c1-4-9(11-3)7(2)16-10-12-13-14-15(10)8-5-6-8/h7-9,11H,4-6H2,1-3H3
InChIKeyNGBFDFSHXRSDDI-UHFFFAOYSA-N
XLogP1.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine (CID 64647783) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine is CCC(NC)C(C)Sc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine?
The InChIKey is NGBFDFSHXRSDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-4-9(11-3)7(2)16-10-12-13-14-15(10)8-5-6-8/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine has a molecular weight of 241.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine is sourced from PubChem (CID 64647783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).