1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C13H18ClN5S — CID 107049697

IUPAC1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(CSc1ccccc1Cl)Cc1nnn(C)n1
InChIInChI=1S/C13H18ClN5S/c1-3-15-10(8-13-16-18-19(2)17-13)9-20-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyNVZBSEMUCGKCFY-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.18
Rot. Bonds7

About 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107049697) has the molecular formula C13H18ClN5S and a molecular weight of 311.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107049697
Molecular FormulaC13H18ClN5S
Molecular Weight311.84 g/mol
Exact Mass311.10
IUPAC Name1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(CSc1ccccc1Cl)Cc1nnn(C)n1
InChIInChI=1S/C13H18ClN5S/c1-3-15-10(8-13-16-18-19(2)17-13)9-20-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyNVZBSEMUCGKCFY-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107049689
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
CID 107049422
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049322
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
CID 107048302
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996069

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107049697) is 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CCNC(CSc1ccccc1Cl)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is NVZBSEMUCGKCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5S/c1-3-15-10(8-13-16-18-19(2)17-13)9-20-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 311.84 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107049697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).