ethane;N-(2-methylsulfonylethyl)propan-2-amine

C8H21NO2S — CID 142531419

IUPACethane;N-(2-methylsulfonylethyl)propan-2-amine
SMILESCC.CC(C)NCCS(C)(=O)=O
InChIInChI=1S/C6H15NO2S.C2H6/c1-6(2)7-4-5-10(3,8)9;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyKVXKIQJLRZAQTN-UHFFFAOYSA-N
MW195.33 g/mol
LogP1.06
Rot. Bonds4

About ethane;N-(2-methylsulfonylethyl)propan-2-amine

ethane;N-(2-methylsulfonylethyl)propan-2-amine (PubChem CID 142531419) has the molecular formula C8H21NO2S and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;N-(2-methylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound Nameethane;N-(2-methylsulfonylethyl)propan-2-amine
PubChem CID142531419
Molecular FormulaC8H21NO2S
Molecular Weight195.33 g/mol
Exact Mass195.13
IUPAC Nameethane;N-(2-methylsulfonylethyl)propan-2-amine
SMILESCC.CC(C)NCCS(C)(=O)=O
InChIInChI=1S/C6H15NO2S.C2H6/c1-6(2)7-4-5-10(3,8)9;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyKVXKIQJLRZAQTN-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920037
(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 104867919
N-(2-methylsulfonylethyl)pentan-3-amine
CID 60711918
(1R)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81384341
(1S)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81385111
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
CID 64645030
N-methyl-2-(2-methylsulfonylethylamino)propanamide
CID 60918919
N-(2-methylsulfonylethylsulfamoyl)propan-2-amine
CID 110612472
5-methyl-N-(2-methylsulfonylethyl)heptan-3-amine
CID 60920928
N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide
CID 60919155

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylsulfonylethyl)propan-2-amine?
The IUPAC name of ethane;N-(2-methylsulfonylethyl)propan-2-amine (CID 142531419) is ethane;N-(2-methylsulfonylethyl)propan-2-amine.
What is the SMILES notation for ethane;N-(2-methylsulfonylethyl)propan-2-amine?
The canonical SMILES for ethane;N-(2-methylsulfonylethyl)propan-2-amine is CC.CC(C)NCCS(C)(=O)=O.
What is the InChIKey of ethane;N-(2-methylsulfonylethyl)propan-2-amine?
The InChIKey is KVXKIQJLRZAQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S.C2H6/c1-6(2)7-4-5-10(3,8)9;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(2-methylsulfonylethyl)propan-2-amine?
ethane;N-(2-methylsulfonylethyl)propan-2-amine has a molecular weight of 195.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 142531419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).