N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide

C9H13ClN2OS — CID 130349763

IUPACN-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide
SMILESCS(=O)NCC(N)c1ccccc1Cl
InChIInChI=1S/C9H13ClN2OS/c1-14(13)12-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,12H,6,11H2,1H3
InChIKeyZZJUHJWENDKUJG-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.22
Rot. Bonds4

About N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide

N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide (PubChem CID 130349763) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide.

Molecular Properties

Compound NameN-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide
PubChem CID130349763
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC NameN-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide
SMILESCS(=O)NCC(N)c1ccccc1Cl
InChIInChI=1S/C9H13ClN2OS/c1-14(13)12-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,12H,6,11H2,1H3
InChIKeyZZJUHJWENDKUJG-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide
CID 130349740
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
CID 94451404
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
1-(2-chlorophenyl)but-3-en-1-amine
CID 15322297
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 44890909
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide?
The IUPAC name of N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide (CID 130349763) is N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide.
What is the SMILES notation for N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide?
The canonical SMILES for N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide is CS(=O)NCC(N)c1ccccc1Cl.
What is the InChIKey of N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide?
The InChIKey is ZZJUHJWENDKUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-14(13)12-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,12H,6,11H2,1H3.
What are the key properties of N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide?
N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide has a molecular weight of 232.74 g/mol, XLogP of 1.22, 4 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-chlorophenyl)ethyl]methanesulfinamide is sourced from PubChem (CID 130349763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).