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

C11H25NO3S2 — CID 64659149

IUPAC2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S2/c1-5-7-12-11(6-2)10(3)16(13)8-9-17(4,14)15/h10-12H,5-9H2,1-4H3
InChIKeyOKAVDZBJBDYHAD-UHFFFAOYSA-N
MW283.46 g/mol
LogP0.95
Rot. Bonds9

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

2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine (PubChem CID 64659149) has the molecular formula C11H25NO3S2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
PubChem CID64659149
Molecular FormulaC11H25NO3S2
Molecular Weight283.46 g/mol
Exact Mass283.13
IUPAC Name2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S2/c1-5-7-12-11(6-2)10(3)16(13)8-9-17(4,14)15/h10-12H,5-9H2,1-4H3
InChIKeyOKAVDZBJBDYHAD-UHFFFAOYSA-N
XLogP0.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pentylsulfinyl-N-propylpentan-3-amine
CID 107758770
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
CID 64611487
N-propyl-3-propylsulfinylbutan-2-amine
CID 64651123
3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 105013715
3-(2-methylsulfonylethylsulfonyl)-N-propylheptan-4-amine
CID 64645015
2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
CID 103290329
3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64610248
2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide
CID 114232693
N-[2-(2-methylsulfonylethylsulfinyl)-1-phenylethyl]propan-1-amine
CID 64676485
5-methoxy-6-methyl-1-methylsulfonyl-N-propylheptan-4-amine
CID 116720556
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
CID 64647490

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine (CID 64659149) is 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)S(=O)CCS(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine?
The InChIKey is OKAVDZBJBDYHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S2/c1-5-7-12-11(6-2)10(3)16(13)8-9-17(4,14)15/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine?
2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine has a molecular weight of 283.46 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine is sourced from PubChem (CID 64659149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).