2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine

C10H19N5OS — CID 62577032

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H19N5OS/c1-8(7-11-5-6-16-2)17-10-12-13-14-15(10)9-3-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyMZQBXGRFOPOVBF-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.72
Rot. Bonds8

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

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62577032) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
PubChem CID62577032
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H19N5OS/c1-8(7-11-5-6-16-2)17-10-12-13-14-15(10)9-3-4-9/h8-9,11H,3-7H2,1-2H3
InChIKeyMZQBXGRFOPOVBF-UHFFFAOYSA-N
XLogP0.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (CID 62577032) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)Sc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is MZQBXGRFOPOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-8(7-11-5-6-16-2)17-10-12-13-14-15(10)9-3-4-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62577032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).