2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine

C8H19NO3S2 — CID 106724434

IUPAC2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCC(C)S(=O)(=O)CCNCCS(C)=O
InChIInChI=1S/C8H19NO3S2/c1-8(2)14(11,12)7-5-9-4-6-13(3)10/h8-9H,4-7H2,1-3H3
InChIKeyDPPAFIJSIUWKHV-UHFFFAOYSA-N
MW241.38 g/mol
LogP-0.22
Rot. Bonds7

About 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine

2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine (PubChem CID 106724434) has the molecular formula C8H19NO3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
PubChem CID106724434
Molecular FormulaC8H19NO3S2
Molecular Weight241.38 g/mol
Exact Mass241.08
IUPAC Name2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCC(C)S(=O)(=O)CCNCCS(C)=O
InChIInChI=1S/C8H19NO3S2/c1-8(2)14(11,12)7-5-9-4-6-13(3)10/h8-9H,4-7H2,1-3H3
InChIKeyDPPAFIJSIUWKHV-UHFFFAOYSA-N
XLogP-0.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724497
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
2-(2-methylsulfinylethylamino)ethanesulfonamide
CID 114385199
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
(2R)-1-(2-methylsulfinylethylamino)propan-2-ol
CID 106932556

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The IUPAC name of 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine (CID 106724434) is 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The canonical SMILES for 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine is CC(C)S(=O)(=O)CCNCCS(C)=O.
What is the InChIKey of 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The InChIKey is DPPAFIJSIUWKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S2/c1-8(2)14(11,12)7-5-9-4-6-13(3)10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine has a molecular weight of 241.38 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 106724434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).