2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine

C10H19N5S — CID 64621770

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1nnnn1C
InChIInChI=1S/C10H19N5S/c1-3-7-11-8-5-4-6-9(8)16-10-12-13-14-15(10)2/h8-9,11H,3-7H2,1-2H3
InChIKeyGYCPEIRYIHVHQV-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.22
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine

2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine (PubChem CID 64621770) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine
PubChem CID64621770
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1nnnn1C
InChIInChI=1S/C10H19N5S/c1-3-7-11-8-5-4-6-9(8)16-10-12-13-14-15(10)2/h8-9,11H,3-7H2,1-2H3
InChIKeyGYCPEIRYIHVHQV-UHFFFAOYSA-N
XLogP1.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine (CID 64621770) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine is CCCNC1CCCC1Sc1nnnn1C.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine?
The InChIKey is GYCPEIRYIHVHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-3-7-11-8-5-4-6-9(8)16-10-12-13-14-15(10)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine?
2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64621770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).