N-methyl-2-(2-methylbutylsulfonyl)ethanamine

C8H19NO2S — CID 107757585

IUPACN-methyl-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CCNC
InChIInChI=1S/C8H19NO2S/c1-4-8(2)7-12(10,11)6-5-9-3/h8-9H,4-7H2,1-3H3
InChIKeyXHFLJUIJZIZUHD-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.67
Rot. Bonds6

About N-methyl-2-(2-methylbutylsulfonyl)ethanamine

N-methyl-2-(2-methylbutylsulfonyl)ethanamine (PubChem CID 107757585) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-methyl-2-(2-methylbutylsulfonyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylbutylsulfonyl)ethanamine
PubChem CID107757585
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-methyl-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CCNC
InChIInChI=1S/C8H19NO2S/c1-4-8(2)7-12(10,11)6-5-9-3/h8-9H,4-7H2,1-3H3
InChIKeyXHFLJUIJZIZUHD-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757587
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine
CID 107757643
4-(2-methylbutylsulfonyl)-N-propylbutan-1-amine
CID 107757626
(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane
CID 130294591
3-(2-methylbutylsulfonyl)propanoic acid
CID 62105864
N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
CID 107757568
N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide
CID 79471044
2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline
CID 107757559
N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine
CID 107757631
1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759604
ethyl 3-(2-methylbutylsulfonyl)propanoate
CID 107746710

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylbutylsulfonyl)ethanamine (CID 107757585) is N-methyl-2-(2-methylbutylsulfonyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylbutylsulfonyl)ethanamine is CCC(C)CS(=O)(=O)CCNC.
What is the InChIKey of N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The InChIKey is XHFLJUIJZIZUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-8(2)7-12(10,11)6-5-9-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
N-methyl-2-(2-methylbutylsulfonyl)ethanamine has a molecular weight of 193.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbutylsulfonyl)ethanamine is sourced from PubChem (CID 107757585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).