2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine

C11H25NO2S — CID 107757377

IUPAC2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C11H25NO2S/c1-8(2)11(6)15(13,14)10(5)7-12-9(3)4/h8-12H,7H2,1-6H3
InChIKeyWSUNPLVNHRDKTQ-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.83
Rot. Bonds6

About 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine

2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine (PubChem CID 107757377) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine
PubChem CID107757377
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C11H25NO2S/c1-8(2)11(6)15(13,14)10(5)7-12-9(3)4/h8-12H,7H2,1-6H3
InChIKeyWSUNPLVNHRDKTQ-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutan-2-ylsulfonyl)-N-prop-2-ynylpropan-1-amine
CID 107757415
2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine
CID 107757384
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944
N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine
CID 107757359
N-(3-methylbutyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059116
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
2-(2-methoxyethylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 106513190
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
CID 106513123
N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine
CID 107759245
(2S)-1-N-propan-2-ylpropane-1,2-diamine
CID 11480427

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine (CID 107757377) is 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)S(=O)(=O)C(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is WSUNPLVNHRDKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-8(2)11(6)15(13,14)10(5)7-12-9(3)4/h8-12H,7H2,1-6H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine?
2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 107757377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).