4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide

C12H27NO2S — CID 146353297

IUPAC4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide
SMILESCC(C)[C@@H](C)NS(=O)(=O)CCCC(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-10(2)11(3)13-16(14,15)9-7-8-12(4,5)6/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyDROQQLRKQZDMTN-LLVKDONJSA-N
MW249.42 g/mol
LogP2.78
Rot. Bonds6

About 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide

4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide (PubChem CID 146353297) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide
PubChem CID146353297
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide
SMILESCC(C)[C@@H](C)NS(=O)(=O)CCCC(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-10(2)11(3)13-16(14,15)9-7-8-12(4,5)6/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyDROQQLRKQZDMTN-LLVKDONJSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1280652
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CID 21749572
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CID 22201544
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CID 57580163
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CID 57749708
CID 57749708

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide?
The IUPAC name of 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide (CID 146353297) is 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide.
What is the SMILES notation for 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide?
The canonical SMILES for 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide is CC(C)[C@@H](C)NS(=O)(=O)CCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide?
The InChIKey is DROQQLRKQZDMTN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-10(2)11(3)13-16(14,15)9-7-8-12(4,5)6/h10-11,13H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide?
4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]pentane-1-sulfonamide is sourced from PubChem (CID 146353297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).