3-(2-methylphenyl)sulfinylheptan-4-amine

C14H23NOS — CID 64656787

IUPAC3-(2-methylphenyl)sulfinylheptan-4-amine
SMILESCCCC(N)C(CC)S(=O)c1ccccc1C
InChIInChI=1S/C14H23NOS/c1-4-8-12(15)13(5-2)17(16)14-10-7-6-9-11(14)3/h6-7,9-10,12-13H,4-5,8,15H2,1-3H3
InChIKeyYXDYLBCTFCQLSP-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.01
Rot. Bonds6

About 3-(2-methylphenyl)sulfinylheptan-4-amine

3-(2-methylphenyl)sulfinylheptan-4-amine (PubChem CID 64656787) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-(2-methylphenyl)sulfinylheptan-4-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)sulfinylheptan-4-amine
PubChem CID64656787
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-(2-methylphenyl)sulfinylheptan-4-amine
SMILESCCCC(N)C(CC)S(=O)c1ccccc1C
InChIInChI=1S/C14H23NOS/c1-4-8-12(15)13(5-2)17(16)14-10-7-6-9-11(14)3/h6-7,9-10,12-13H,4-5,8,15H2,1-3H3
InChIKeyYXDYLBCTFCQLSP-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64655971
2-(2-methylphenyl)sulfinylbutan-1-amine
CID 81329169
3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
CID 64658856
N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64656582
2-(2-bromophenyl)sulfinyl-1-phenylbutan-1-amine
CID 64653527
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
CID 64657190
3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64659442
1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
CID 163864796
N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
CID 64704016
2-methyl-1,1-diphenylhexan-3-amine
CID 83047736
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)sulfinylheptan-4-amine?
The IUPAC name of 3-(2-methylphenyl)sulfinylheptan-4-amine (CID 64656787) is 3-(2-methylphenyl)sulfinylheptan-4-amine.
What is the SMILES notation for 3-(2-methylphenyl)sulfinylheptan-4-amine?
The canonical SMILES for 3-(2-methylphenyl)sulfinylheptan-4-amine is CCCC(N)C(CC)S(=O)c1ccccc1C.
What is the InChIKey of 3-(2-methylphenyl)sulfinylheptan-4-amine?
The InChIKey is YXDYLBCTFCQLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-8-12(15)13(5-2)17(16)14-10-7-6-9-11(14)3/h6-7,9-10,12-13H,4-5,8,15H2,1-3H3.
What are the key properties of 3-(2-methylphenyl)sulfinylheptan-4-amine?
3-(2-methylphenyl)sulfinylheptan-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)sulfinylheptan-4-amine is sourced from PubChem (CID 64656787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).