N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine

C9H17N5OS — CID 64620213

IUPACN-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine
SMILESCCNC1CCOCC1Sc1nnnn1C
InChIInChI=1S/C9H17N5OS/c1-3-10-7-4-5-15-6-8(7)16-9-11-12-13-14(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyUQJHLJDHISDOKD-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.07
Rot. Bonds4

About N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine

N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine (PubChem CID 64620213) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine
PubChem CID64620213
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC NameN-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine
SMILESCCNC1CCOCC1Sc1nnnn1C
InChIInChI=1S/C9H17N5OS/c1-3-10-7-4-5-15-6-8(7)16-9-11-12-13-14(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyUQJHLJDHISDOKD-UHFFFAOYSA-N
XLogP0.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine?
The IUPAC name of N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine (CID 64620213) is N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine.
What is the SMILES notation for N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine?
The canonical SMILES for N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine is CCNC1CCOCC1Sc1nnnn1C.
What is the InChIKey of N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine?
The InChIKey is UQJHLJDHISDOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-3-10-7-4-5-15-6-8(7)16-9-11-12-13-14(9)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine?
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine has a molecular weight of 243.34 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine is sourced from PubChem (CID 64620213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).