N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine

C12H16ClNS — CID 115714524

IUPACN-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
SMILESClc1ccccc1CCNC1CCSC1
InChIInChI=1S/C12H16ClNS/c13-12-4-2-1-3-10(12)5-7-14-11-6-8-15-9-11/h1-4,11,14H,5-9H2
InChIKeyREAZJAXJLLUKLN-UHFFFAOYSA-N
MW241.79 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine

N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine (PubChem CID 115714524) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
PubChem CID115714524
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC NameN-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
SMILESClc1ccccc1CCNC1CCSC1
InChIInChI=1S/C12H16ClNS/c13-12-4-2-1-3-10(12)5-7-14-11-6-8-15-9-11/h1-4,11,14H,5-9H2
InChIKeyREAZJAXJLLUKLN-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine
CID 115895663
(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine
CID 95123138
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine
CID 131089862
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiolan-3-amine
CID 43181741
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 115895157

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine (CID 115714524) is N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine is Clc1ccccc1CCNC1CCSC1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine?
The InChIKey is REAZJAXJLLUKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c13-12-4-2-1-3-10(12)5-7-14-11-6-8-15-9-11/h1-4,11,14H,5-9H2.
What are the key properties of N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine?
N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine has a molecular weight of 241.79 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 115714524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).