2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine

C11H25NO2S2 — CID 64611487

IUPAC2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)SCCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S2/c1-5-7-12-11(6-2)10(3)15-8-9-16(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyYQKQPLHLDQYEOE-UHFFFAOYSA-N
MW267.46 g/mol
LogP1.93
Rot. Bonds9

About 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine

2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine (PubChem CID 64611487) has the molecular formula C11H25NO2S2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
PubChem CID64611487
Molecular FormulaC11H25NO2S2
Molecular Weight267.46 g/mol
Exact Mass267.13
IUPAC Name2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)SCCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S2/c1-5-7-12-11(6-2)10(3)15-8-9-16(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyYQKQPLHLDQYEOE-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64610248
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
CID 64659149
4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65131331
3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol
CID 79672307
3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 105013715
3-(2-methylsulfonylethylsulfonyl)-N-propylheptan-4-amine
CID 64645015
3,3-dimethyl-1-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64611891
3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
CID 107772704
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64611477
3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
CID 63658893
5-methoxy-6-methyl-1-methylsulfonyl-N-propylheptan-4-amine
CID 116720556

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine (CID 64611487) is 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)SCCS(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine?
The InChIKey is YQKQPLHLDQYEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S2/c1-5-7-12-11(6-2)10(3)15-8-9-16(4,13)14/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine?
2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine has a molecular weight of 267.46 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine is sourced from PubChem (CID 64611487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).