4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine

C10H23NO2S — CID 65256393

IUPAC4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine
SMILESCCC(C)S(=O)(=O)CCC(C)(C)CN
InChIInChI=1S/C10H23NO2S/c1-5-9(2)14(12,13)7-6-10(3,4)8-11/h9H,5-8,11H2,1-4H3
InChIKeyXJDDCEYJEUALJJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.57
Rot. Bonds6

About 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine

4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine (PubChem CID 65256393) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine
PubChem CID65256393
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine
SMILESCCC(C)S(=O)(=O)CCC(C)(C)CN
InChIInChI=1S/C10H23NO2S/c1-5-9(2)14(12,13)7-6-10(3,4)8-11/h9H,5-8,11H2,1-4H3
InChIKeyXJDDCEYJEUALJJ-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine
CID 65257088
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796
1-butan-2-ylsulfonylpentane
CID 159645630
6-ethylsulfonyl-4,4-dimethylhexan-2-amine
CID 106732358
4-butan-2-ylsulfonyl-N-tert-butylbutan-1-amine
CID 106512726
2,2-dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
2-propylsulfonylpropan-1-amine
CID 64697615
3-butan-2-ylsulfonylpropanethioic S-acid
CID 20544799
3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
CID 106735479
[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 125456687
N-(2-butan-2-ylsulfonylethyl)pentan-1-amine
CID 106512745

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine (CID 65256393) is 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine is CCC(C)S(=O)(=O)CCC(C)(C)CN.
What is the InChIKey of 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine?
The InChIKey is XJDDCEYJEUALJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-9(2)14(12,13)7-6-10(3,4)8-11/h9H,5-8,11H2,1-4H3.
What are the key properties of 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine?
4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65256393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).