N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide

C10H14Cl2N2OS — CID 130349740

IUPACN-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide
SMILESCCS(=O)NCC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2OS/c1-2-16(15)14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,14H,2,6,13H2,1H3
InChIKeyDWTXDEOHIGMEKN-UHFFFAOYSA-N
MW281.21 g/mol
LogP2.27
Rot. Bonds5

About N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide

N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide (PubChem CID 130349740) has the molecular formula C10H14Cl2N2OS and a molecular weight of 281.21 g/mol. Its IUPAC name is N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide.

Molecular Properties

Compound NameN-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide
PubChem CID130349740
Molecular FormulaC10H14Cl2N2OS
Molecular Weight281.21 g/mol
Exact Mass280.02
IUPAC NameN-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide
SMILESCCS(=O)NCC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2OS/c1-2-16(15)14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,14H,2,6,13H2,1H3
InChIKeyDWTXDEOHIGMEKN-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide
CID 130349763
1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
3-amino-3-(2,3-dichlorophenyl)propanal
CID 123893980
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
1-(2,3-dichlorophenyl)but-3-yn-1-amine
CID 87596872
(2,3-dichlorophenyl)methanediamine
CID 139660481
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
1-(2,3-dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820999
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide?
The IUPAC name of N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide (CID 130349740) is N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide.
What is the SMILES notation for N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide?
The canonical SMILES for N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide is CCS(=O)NCC(N)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide?
The InChIKey is DWTXDEOHIGMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2OS/c1-2-16(15)14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,14H,2,6,13H2,1H3.
What are the key properties of N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide?
N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide has a molecular weight of 281.21 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide is sourced from PubChem (CID 130349740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).