N-(5-chloro-2-methoxyphenyl)thiolan-3-amine

C11H14ClNOS — CID 43193326

IUPACN-(5-chloro-2-methoxyphenyl)thiolan-3-amine
SMILESCOc1ccc(Cl)cc1NC1CCSC1
InChIInChI=1S/C11H14ClNOS/c1-14-11-3-2-8(12)6-10(11)13-9-4-5-15-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyWBBUPELZVPGYGN-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.27
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)thiolan-3-amine

N-(5-chloro-2-methoxyphenyl)thiolan-3-amine (PubChem CID 43193326) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)thiolan-3-amine
PubChem CID43193326
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)thiolan-3-amine
SMILESCOc1ccc(Cl)cc1NC1CCSC1
InChIInChI=1S/C11H14ClNOS/c1-14-11-3-2-8(12)6-10(11)13-9-4-5-15-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyWBBUPELZVPGYGN-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-4-methylphenyl)thiolan-3-amine
CID 60932234
N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941779
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
N-(5-chloro-2-methylphenyl)thian-4-amine
CID 43511220
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792
N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
CID 43095755
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine
CID 43738970
N-(2-chloro-5-methoxyphenyl)thian-3-amine
CID 62871830
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625
(3S)-N-[(3,4-dimethoxyphenyl)methyl]thiolan-3-amine
CID 28646937

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)thiolan-3-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)thiolan-3-amine (CID 43193326) is N-(5-chloro-2-methoxyphenyl)thiolan-3-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)thiolan-3-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)thiolan-3-amine is COc1ccc(Cl)cc1NC1CCSC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)thiolan-3-amine?
The InChIKey is WBBUPELZVPGYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-14-11-3-2-8(12)6-10(11)13-9-4-5-15-7-9/h2-3,6,9,13H,4-5,7H2,1H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)thiolan-3-amine?
N-(5-chloro-2-methoxyphenyl)thiolan-3-amine has a molecular weight of 243.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)thiolan-3-amine is sourced from PubChem (CID 43193326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).