N-methyl-2-(3-methylphenyl)sulfinylethanamine

C10H15NOS — CID 64655016

IUPACN-methyl-2-(3-methylphenyl)sulfinylethanamine
SMILESCNCCS(=O)c1cccc(C)c1
InChIInChI=1S/C10H15NOS/c1-9-4-3-5-10(8-9)13(12)7-6-11-2/h3-5,8,11H,6-7H2,1-2H3
InChIKeyJPIXEOZUCZYDFT-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-2-(3-methylphenyl)sulfinylethanamine

N-methyl-2-(3-methylphenyl)sulfinylethanamine (PubChem CID 64655016) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)sulfinylethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)sulfinylethanamine
PubChem CID64655016
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-methyl-2-(3-methylphenyl)sulfinylethanamine
SMILESCNCCS(=O)c1cccc(C)c1
InChIInChI=1S/C10H15NOS/c1-9-4-3-5-10(8-9)13(12)7-6-11-2/h3-5,8,11H,6-7H2,1-2H3
InChIKeyJPIXEOZUCZYDFT-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64654610
4-(3-methylphenyl)sulfinylbutan-1-amine
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CID 106808022
3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64657406
4-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61289269
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
1-methyl-3-[(S)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859224
2-(4-chlorophenyl)sulfinyl-N-methylethanamine
CID 64659807
N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one
CID 64640763
tert-butyl 3-(3-methylphenyl)sulfinylpropanoate
CID 116662502
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)sulfinylethanamine?
The IUPAC name of N-methyl-2-(3-methylphenyl)sulfinylethanamine (CID 64655016) is N-methyl-2-(3-methylphenyl)sulfinylethanamine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)sulfinylethanamine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)sulfinylethanamine is CNCCS(=O)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)sulfinylethanamine?
The InChIKey is JPIXEOZUCZYDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-9-4-3-5-10(8-9)13(12)7-6-11-2/h3-5,8,11H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenyl)sulfinylethanamine?
N-methyl-2-(3-methylphenyl)sulfinylethanamine has a molecular weight of 197.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)sulfinylethanamine is sourced from PubChem (CID 64655016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).