2-(4-chlorophenyl)sulfinyl-N-methylethanamine

C9H12ClNOS — CID 64659807

IUPAC2-(4-chlorophenyl)sulfinyl-N-methylethanamine
SMILESCNCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNOS/c1-11-6-7-13(12)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyNZBYSTXBCPUJBO-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-chlorophenyl)sulfinyl-N-methylethanamine

2-(4-chlorophenyl)sulfinyl-N-methylethanamine (PubChem CID 64659807) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-N-methylethanamine
PubChem CID64659807
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name2-(4-chlorophenyl)sulfinyl-N-methylethanamine
SMILESCNCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNOS/c1-11-6-7-13(12)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyNZBYSTXBCPUJBO-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfinylpropan-1-amine
CID 58684884
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
3-(4-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64652409
3-(4-chlorophenyl)sulfinylpropanenitrile
CID 64691273
N-methyl-2-(3-methylphenyl)sulfinylethanamine
CID 64655016
4-chloro-N-methylbenzenesulfinamide
CID 143373382
1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64660006
(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone
CID 13021630
6-(4-chlorophenyl)sulfinylhexan-2-amine
CID 64659612
N-[2-(4-methoxyphenyl)sulfinylethyl]propan-1-amine
CID 64659114
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
4-(4-chlorophenyl)sulfinyl-N-methylaniline
CID 53343997

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-N-methylethanamine (CID 64659807) is 2-(4-chlorophenyl)sulfinyl-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-N-methylethanamine is CNCCS(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-N-methylethanamine?
The InChIKey is NZBYSTXBCPUJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-11-6-7-13(12)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfinyl-N-methylethanamine?
2-(4-chlorophenyl)sulfinyl-N-methylethanamine has a molecular weight of 217.72 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-N-methylethanamine is sourced from PubChem (CID 64659807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).