2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine

C11H19N5S — CID 64649338

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Sc1nnnn1C1CC1
InChIInChI=1S/C11H19N5S/c1-12-9-4-2-3-5-10(9)17-11-13-14-15-16(11)8-6-7-8/h8-10,12H,2-7H2,1H3
InChIKeyLSUXKOWTUYVHNE-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.63
Rot. Bonds4

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

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine (PubChem CID 64649338) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine
PubChem CID64649338
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Sc1nnnn1C1CC1
InChIInChI=1S/C11H19N5S/c1-12-9-4-2-3-5-10(9)17-11-13-14-15-16(11)8-6-7-8/h8-10,12H,2-7H2,1H3
InChIKeyLSUXKOWTUYVHNE-UHFFFAOYSA-N
XLogP1.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.63
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-methylcyclohexan-1-amine?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine (CID 64649338) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine is CNC1CCCCC1Sc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine?
The InChIKey is LSUXKOWTUYVHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-12-9-4-2-3-5-10(9)17-11-13-14-15-16(11)8-6-7-8/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.63, 4 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-methylcyclohexan-1-amine is sourced from PubChem (CID 64649338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).