N-(2,3-dichlorophenyl)thiolan-3-amine

C10H11Cl2NS — CID 43209589

IUPACN-(2,3-dichlorophenyl)thiolan-3-amine
SMILESClc1cccc(NC2CCSC2)c1Cl
InChIInChI=1S/C10H11Cl2NS/c11-8-2-1-3-9(10(8)12)13-7-4-5-14-6-7/h1-3,7,13H,4-6H2
InChIKeyUUQQSHHQWAKUPZ-UHFFFAOYSA-N
MW248.18 g/mol
LogP3.91
Rot. Bonds2

About N-(2,3-dichlorophenyl)thiolan-3-amine

N-(2,3-dichlorophenyl)thiolan-3-amine (PubChem CID 43209589) has the molecular formula C10H11Cl2NS and a molecular weight of 248.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)thiolan-3-amine
PubChem CID43209589
Molecular FormulaC10H11Cl2NS
Molecular Weight248.18 g/mol
Exact Mass247.00
IUPAC NameN-(2,3-dichlorophenyl)thiolan-3-amine
SMILESClc1cccc(NC2CCSC2)c1Cl
InChIInChI=1S/C10H11Cl2NS/c11-8-2-1-3-9(10(8)12)13-7-4-5-14-6-7/h1-3,7,13H,4-6H2
InChIKeyUUQQSHHQWAKUPZ-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
2-chloro-6-(thiolan-3-ylamino)benzenecarbothioamide
CID 103063232
(3S)-N-(2-chlorophenyl)thian-3-amine
CID 94885671
N-(2,3-dichlorophenyl)-5,5-dimethylthian-3-amine
CID 79956405
(3S)-N-(2-iodophenyl)thiolan-3-amine
CID 93023740
N-(2,3-dichlorophenyl)oxolan-3-amine
CID 63331897
N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine
CID 43715883
2-amino-3-(thiolan-3-ylamino)benzoic acid
CID 103064516
N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820286
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine
CID 43737722

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)thiolan-3-amine?
The IUPAC name of N-(2,3-dichlorophenyl)thiolan-3-amine (CID 43209589) is N-(2,3-dichlorophenyl)thiolan-3-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)thiolan-3-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)thiolan-3-amine is Clc1cccc(NC2CCSC2)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)thiolan-3-amine?
The InChIKey is UUQQSHHQWAKUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NS/c11-8-2-1-3-9(10(8)12)13-7-4-5-14-6-7/h1-3,7,13H,4-6H2.
What are the key properties of N-(2,3-dichlorophenyl)thiolan-3-amine?
N-(2,3-dichlorophenyl)thiolan-3-amine has a molecular weight of 248.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)thiolan-3-amine is sourced from PubChem (CID 43209589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).