2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine

C12H27NO2S — CID 107757784

IUPAC2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCS(=O)(=O)CCC(C)C
InChIInChI=1S/C12H27NO2S/c1-6-12(4,5)13-8-10-16(14,15)9-7-11(2)3/h11,13H,6-10H2,1-5H3
InChIKeyDORNSSFVDNVMDB-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.23
Rot. Bonds8

About 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine

2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine (PubChem CID 107757784) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine
PubChem CID107757784
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCS(=O)(=O)CCC(C)C
InChIInChI=1S/C12H27NO2S/c1-6-12(4,5)13-8-10-16(14,15)9-7-11(2)3/h11,13H,6-10H2,1-5H3
InChIKeyDORNSSFVDNVMDB-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809
2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 60915670
2-ethoxy-N-[2-(3-methylbutylsulfonyl)ethyl]ethanamine
CID 107757860
N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
CID 56795208
1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
CID 107760352
3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
CID 106724525
3-(3-methylbutylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757850
N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 89197540
N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine
CID 106512750
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
2-bromo-N-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107757762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine (CID 107757784) is 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine is CCC(C)(C)NCCS(=O)(=O)CCC(C)C.
What is the InChIKey of 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine?
The InChIKey is DORNSSFVDNVMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-12(4,5)13-8-10-16(14,15)9-7-11(2)3/h11,13H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine?
2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine is sourced from PubChem (CID 107757784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).