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

C10H23NO2S2 — CID 64610248

IUPAC3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)SCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S2/c1-5-6-11-9(2)10(3)14-7-8-15(4,12)13/h9-11H,5-8H2,1-4H3
InChIKeyCTOKDWHDWJUTCE-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.54
Rot. Bonds8

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

3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine (PubChem CID 64610248) has the molecular formula C10H23NO2S2 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
PubChem CID64610248
Molecular FormulaC10H23NO2S2
Molecular Weight253.43 g/mol
Exact Mass253.12
IUPAC Name3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)SCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S2/c1-5-6-11-9(2)10(3)14-7-8-15(4,12)13/h9-11H,5-8H2,1-4H3
InChIKeyCTOKDWHDWJUTCE-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
CID 64611487
methyl 3-[3-(propylamino)butan-2-ylsulfanyl]propanoate
CID 64613726
4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65131331
3,3-dimethyl-1-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64611891
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64611477
3-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64632853
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol
CID 66102569
3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
CID 63658893
2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
CID 64659149
2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 63659927
N-ethyl-3-pentylsulfanylbutan-2-amine
CID 107762879

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine?
The IUPAC name of 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine (CID 64610248) is 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine is CCCNC(C)C(C)SCCS(C)(=O)=O.
What is the InChIKey of 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine?
The InChIKey is CTOKDWHDWJUTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S2/c1-5-6-11-9(2)10(3)14-7-8-15(4,12)13/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine?
3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine is sourced from PubChem (CID 64610248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).