2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine

C12H27NO2S — CID 107757384

IUPAC2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine
SMILESCC(C)C(C)S(=O)(=O)C(C)CNC(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-9(2)11(4)16(14,15)10(3)8-13-12(5,6)7/h9-11,13H,8H2,1-7H3
InChIKeyCBAJURMJWHKUFU-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine

2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine (PubChem CID 107757384) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine
PubChem CID107757384
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine
SMILESCC(C)C(C)S(=O)(=O)C(C)CNC(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-9(2)11(4)16(14,15)10(3)8-13-12(5,6)7/h9-11,13H,8H2,1-7H3
InChIKeyCBAJURMJWHKUFU-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757377
N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
CID 106512791
2-(3-methylbutan-2-ylsulfonyl)-N-prop-2-ynylpropan-1-amine
CID 107757415
N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine
CID 107757359
N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine
CID 106512750
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 62530526
N,2-ditert-butyl-4-methylpentan-1-amine
CID 83138454
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090
N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 83138361
N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444012
2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106512287
N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine
CID 65097386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine (CID 107757384) is 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine is CC(C)C(C)S(=O)(=O)C(C)CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine?
The InChIKey is CBAJURMJWHKUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-9(2)11(4)16(14,15)10(3)8-13-12(5,6)7/h9-11,13H,8H2,1-7H3.
What are the key properties of 2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine?
2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.22, 5 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-methylbutan-2-ylsulfonyl)propyl]propan-2-amine is sourced from PubChem (CID 107757384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).