N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine

C12H27NO2S — CID 106512750

IUPACN-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine
SMILESCCC(C)S(=O)(=O)C(C)CNC(C)(C)CC
InChIInChI=1S/C12H27NO2S/c1-7-10(3)16(14,15)11(4)9-13-12(5,6)8-2/h10-11,13H,7-9H2,1-6H3
InChIKeyHAKLHDJPCHRGTN-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.37
Rot. Bonds7

About N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine

N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine (PubChem CID 106512750) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine
PubChem CID106512750
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine
SMILESCCC(C)S(=O)(=O)C(C)CNC(C)(C)CC
InChIInChI=1S/C12H27NO2S/c1-7-10(3)16(14,15)11(4)9-13-12(5,6)8-2/h10-11,13H,7-9H2,1-6H3
InChIKeyHAKLHDJPCHRGTN-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbutan-2-ylamino)butan-2-ol
CID 20673371
2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine
CID 107757384
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine
CID 107757784
2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 60915670
N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
CID 106512791
2-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809
2-butan-2-ylsulfonyl-N-methylpentan-3-amine
CID 64645279
N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 89197540
1,1,1-trichloro-3-(2-methylbutan-2-ylamino)propan-2-ol
CID 165445160
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
CID 62568783
4-butan-2-ylsulfonyl-N-tert-butylbutan-1-amine
CID 106512726

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine?
The IUPAC name of N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine (CID 106512750) is N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine.
What is the SMILES notation for N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine?
The canonical SMILES for N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine is CCC(C)S(=O)(=O)C(C)CNC(C)(C)CC.
What is the InChIKey of N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine?
The InChIKey is HAKLHDJPCHRGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-7-10(3)16(14,15)11(4)9-13-12(5,6)8-2/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine?
N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine is sourced from PubChem (CID 106512750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).