N-(2-chlorophenyl)-1,1-dioxothian-4-amine

C11H14ClNO2S — CID 43511535

IUPACN-(2-chlorophenyl)-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C11H14ClNO2S/c12-10-3-1-2-4-11(10)13-9-5-7-16(14,15)8-6-9/h1-4,9,13H,5-8H2
InChIKeyNHJVYYMRAHWKOA-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.33
Rot. Bonds2

About N-(2-chlorophenyl)-1,1-dioxothian-4-amine

N-(2-chlorophenyl)-1,1-dioxothian-4-amine (PubChem CID 43511535) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,1-dioxothian-4-amine
PubChem CID43511535
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC NameN-(2-chlorophenyl)-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C11H14ClNO2S/c12-10-3-1-2-4-11(10)13-9-5-7-16(14,15)8-6-9/h1-4,9,13H,5-8H2
InChIKeyNHJVYYMRAHWKOA-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-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
CID 43511461
N-(2-chlorophenyl)-1,1-dioxothian-3-amine
CID 63910258
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 43123013
1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
CID 43511595
N-(2-nitrophenyl)-1,1-dioxothian-4-amine
CID 43615402
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 43745911
3-chloro-4-[(1,1-dioxothian-4-yl)amino]benzenecarbothioamide
CID 63088447
(3S,4R)-4-(2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 2435929
N-(2-bromo-4-chlorophenyl)-1,1-dioxothian-4-amine
CID 81264155
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-chlorophenyl)-1,1-dioxothian-4-amine (CID 43511535) is N-(2-chlorophenyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-1,1-dioxothian-4-amine is O=S1(=O)CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1,1-dioxothian-4-amine?
The InChIKey is NHJVYYMRAHWKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-10-3-1-2-4-11(10)13-9-5-7-16(14,15)8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of N-(2-chlorophenyl)-1,1-dioxothian-4-amine?
N-(2-chlorophenyl)-1,1-dioxothian-4-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-4-amine is sourced from PubChem (CID 43511535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).