N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine

C13H16ClN5S — CID 114864111

IUPACN-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Sc1nnnn1C1CC1
InChIInChI=1S/C13H16ClN5S/c1-2-15-8-9-7-10(14)3-6-12(9)20-13-16-17-18-19(13)11-4-5-11/h3,6-7,11,15H,2,4-5,8H2,1H3
InChIKeyRFIVQOKTOVVXPY-UHFFFAOYSA-N
MW309.83 g/mol
LogP2.92
Rot. Bonds6

About N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine

N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine (PubChem CID 114864111) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine
PubChem CID114864111
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC NameN-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Sc1nnnn1C1CC1
InChIInChI=1S/C13H16ClN5S/c1-2-15-8-9-7-10(14)3-6-12(9)20-13-16-17-18-19(13)11-4-5-11/h3,6-7,11,15H,2,4-5,8H2,1H3
InChIKeyRFIVQOKTOVVXPY-UHFFFAOYSA-N
XLogP2.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine 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-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]propan-1-amine
CID 114864109
5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde
CID 114863619
N-[[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63804436
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
N-[(5-chloro-2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864195
N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63804432
1-[3-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanone
CID 55131693
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-1-amine
CID 63805118
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
N-[[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 106926444
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methylbenzaldehyde
CID 63803713

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine (CID 114864111) is N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1Sc1nnnn1C1CC1.
What is the InChIKey of N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is RFIVQOKTOVVXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c1-2-15-8-9-7-10(14)3-6-12(9)20-13-16-17-18-19(13)11-4-5-11/h3,6-7,11,15H,2,4-5,8H2,1H3.
What are the key properties of N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine?
N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 309.83 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 114864111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).