1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine

C13H19NOS — CID 64659864

IUPAC1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine
SMILESCc1ccc(S(=O)CC(N)C2CC2)cc1C
InChIInChI=1S/C13H19NOS/c1-9-3-6-12(7-10(9)2)16(15)8-13(14)11-4-5-11/h3,6-7,11,13H,4-5,8,14H2,1-2H3
InChIKeyXIXAQGUDZGLBOS-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.15
Rot. Bonds4

About 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine

1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine (PubChem CID 64659864) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine
PubChem CID64659864
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine
SMILESCc1ccc(S(=O)CC(N)C2CC2)cc1C
InChIInChI=1S/C13H19NOS/c1-9-3-6-12(7-10(9)2)16(15)8-13(14)11-4-5-11/h3,6-7,11,13H,4-5,8,14H2,1-2H3
InChIKeyXIXAQGUDZGLBOS-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
CID 104754397
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine
CID 115479181
2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine
CID 64659861
2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine
CID 104754574
3-(3,4-dimethylphenyl)sulfinyl-2-methylpropanoic acid
CID 61302341
2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449368
methyl 2-acetamido-3-(3,4-dimethylphenyl)sulfinylpropanoate
CID 65475192
1-(3,4-dimethylphenyl)sulfinylpropan-2-one
CID 64636691
5-(3,4-dimethylphenyl)sulfinylpentanenitrile
CID 63790520
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanamine
CID 64657955
3-(3,4-dimethylphenyl)sulfinylbutan-2-amine
CID 64659074

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine?
The IUPAC name of 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine (CID 64659864) is 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine is Cc1ccc(S(=O)CC(N)C2CC2)cc1C.
What is the InChIKey of 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine?
The InChIKey is XIXAQGUDZGLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-3-6-12(7-10(9)2)16(15)8-13(14)11-4-5-11/h3,6-7,11,13H,4-5,8,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine?
1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine is sourced from PubChem (CID 64659864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).