2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine

C14H25N5S — CID 64649515

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1nnnn1C1CCCC1
InChIInChI=1S/C14H25N5S/c1-2-15-12-9-5-6-10-13(12)20-14-16-17-18-19(14)11-7-3-4-8-11/h11-13,15H,2-10H2,1H3
InChIKeyPDNJZSGFJYUJDB-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.80
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine (PubChem CID 64649515) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
PubChem CID64649515
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1nnnn1C1CCCC1
InChIInChI=1S/C14H25N5S/c1-2-15-12-9-5-6-10-13(12)20-14-16-17-18-19(14)11-7-3-4-8-11/h11-13,15H,2-10H2,1H3
InChIKeyPDNJZSGFJYUJDB-UHFFFAOYSA-N
XLogP2.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine (CID 64649515) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine is CCNC1CCCCC1Sc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine?
The InChIKey is PDNJZSGFJYUJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-2-15-12-9-5-6-10-13(12)20-14-16-17-18-19(14)11-7-3-4-8-11/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine has a molecular weight of 295.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64649515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).