N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine

C7H13N5S — CID 61385651

IUPACN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
SMILESCn1nnnc1SCCNC1CC1
InChIInChI=1S/C7H13N5S/c1-12-7(9-10-11-12)13-5-4-8-6-2-3-6/h6,8H,2-5H2,1H3
InChIKeyAHAOXHPJQXIUBJ-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.05
Rot. Bonds5

About N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine

N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine (PubChem CID 61385651) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
PubChem CID61385651
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
SMILESCn1nnnc1SCCNC1CC1
InChIInChI=1S/C7H13N5S/c1-12-7(9-10-11-12)13-5-4-8-6-2-3-6/h6,8H,2-5H2,1H3
InChIKeyAHAOXHPJQXIUBJ-UHFFFAOYSA-N
XLogP0.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine (CID 61385651) is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine is Cn1nnnc1SCCNC1CC1.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine?
The InChIKey is AHAOXHPJQXIUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-12-7(9-10-11-12)13-5-4-8-6-2-3-6/h6,8H,2-5H2,1H3.
What are the key properties of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine?
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine has a molecular weight of 199.28 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine is sourced from PubChem (CID 61385651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).