3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine

C17H29NOS — CID 64655566

IUPAC3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)S(=O)c1ccccc1C
InChIInChI=1S/C17H29NOS/c1-5-10-15(18-13-6-2)16(7-3)20(19)17-12-9-8-11-14(17)4/h8-9,11-12,15-16,18H,5-7,10,13H2,1-4H3
InChIKeyFALWBAFZAGWODX-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.05
Rot. Bonds9

About 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine

3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine (PubChem CID 64655566) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
PubChem CID64655566
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)S(=O)c1ccccc1C
InChIInChI=1S/C17H29NOS/c1-5-10-15(18-13-6-2)16(7-3)20(19)17-12-9-8-11-14(17)4/h8-9,11-12,15-16,18H,5-7,10,13H2,1-4H3
InChIKeyFALWBAFZAGWODX-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64659442
3-(2-methylphenyl)sulfinylheptan-4-amine
CID 64656787
3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64657309
3-(4-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64658249
3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
CID 64658856
N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64656582
3,3-dimethyl-1-(2-methylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64655569
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
CID 64651350
2-(2-methylphenyl)sulfinylbutan-1-amine
CID 81329169
2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64655971
N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
CID 64704016

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine?
The IUPAC name of 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine (CID 64655566) is 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine.
What is the SMILES notation for 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine?
The canonical SMILES for 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine is CCCNC(CCC)C(CC)S(=O)c1ccccc1C.
What is the InChIKey of 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine?
The InChIKey is FALWBAFZAGWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-5-10-15(18-13-6-2)16(7-3)20(19)17-12-9-8-11-14(17)4/h8-9,11-12,15-16,18H,5-7,10,13H2,1-4H3.
What are the key properties of 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine?
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine has a molecular weight of 295.49 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine is sourced from PubChem (CID 64655566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).