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'}

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

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

Launch Full Analysis

Related Compounds

N-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopropanamine
CID 104603601
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62578341
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
cis-(1R,2S)-1-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-N-prop-2-enylcyclohexane-1,2-dicarboxamide
CID 133118239
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64619824
(2S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1-propanoylpyrrolidine-2-carboxamide
CID 118790165
(1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133113862

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).