N-(2-chlorophenyl)-1,1-dioxothian-3-amine

C11H14ClNO2S — CID 63910258

IUPACN-(2-chlorophenyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(Nc2ccccc2Cl)C1
InChIInChI=1S/C11H14ClNO2S/c12-10-5-1-2-6-11(10)13-9-4-3-7-16(14,15)8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyNBWZWDZRNYNRHK-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.33
Rot. Bonds2

About N-(2-chlorophenyl)-1,1-dioxothian-3-amine

N-(2-chlorophenyl)-1,1-dioxothian-3-amine (PubChem CID 63910258) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,1-dioxothian-3-amine
PubChem CID63910258
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC NameN-(2-chlorophenyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(Nc2ccccc2Cl)C1
InChIInChI=1S/C11H14ClNO2S/c12-10-5-1-2-6-11(10)13-9-4-3-7-16(14,15)8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyNBWZWDZRNYNRHK-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 43511535
N-(2-tert-butylphenyl)-1,1-dioxothian-3-amine
CID 63911828
N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 43123013
N-(2,5-dichloro-4-methylphenyl)-1,1-dioxothian-3-amine
CID 113445780
N-(2-bromo-5-chlorophenyl)-1,1-dioxothian-3-amine
CID 81264463
N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260888
2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide
CID 63922815
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
N-(2-methyl-3-nitrophenyl)-1,1-dioxothian-3-amine
CID 63909898
(3S,4R)-4-(2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 2435929
methyl 4-chloro-2-[(1,1-dioxothian-3-yl)amino]benzoate
CID 63911640
4-[(1,1-dioxothian-3-yl)amino]-1-methylquinolin-2-one
CID 81244475

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,1-dioxothian-3-amine?
The IUPAC name of N-(2-chlorophenyl)-1,1-dioxothian-3-amine (CID 63910258) is N-(2-chlorophenyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1,1-dioxothian-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-1,1-dioxothian-3-amine is O=S1(=O)CCCC(Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-1,1-dioxothian-3-amine?
The InChIKey is NBWZWDZRNYNRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-10-5-1-2-6-11(10)13-9-4-3-7-16(14,15)8-9/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of N-(2-chlorophenyl)-1,1-dioxothian-3-amine?
N-(2-chlorophenyl)-1,1-dioxothian-3-amine has a molecular weight of 259.76 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1,1-dioxothian-3-amine is sourced from PubChem (CID 63910258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).