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

C9H21NO3S2 — CID 106724497

IUPAC2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCCS(=O)CCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S2/c1-4-14(11)7-5-10-6-8-15(12,13)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyYWPVCBZKFLLKAS-UHFFFAOYSA-N
MW255.40 g/mol
LogP0.17
Rot. Bonds8

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

2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine (PubChem CID 106724497) has the molecular formula C9H21NO3S2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
PubChem CID106724497
Molecular FormulaC9H21NO3S2
Molecular Weight255.40 g/mol
Exact Mass255.10
IUPAC Name2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCCS(=O)CCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S2/c1-4-14(11)7-5-10-6-8-15(12,13)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyYWPVCBZKFLLKAS-UHFFFAOYSA-N
XLogP0.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 50.17
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-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine
CID 106735786
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
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

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The IUPAC name of 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine (CID 106724497) is 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The canonical SMILES for 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine is CCS(=O)CCNCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The InChIKey is YWPVCBZKFLLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S2/c1-4-14(11)7-5-10-6-8-15(12,13)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine?
2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine has a molecular weight of 255.40 g/mol, XLogP of 0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 106724497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).