(3R)-2-methylpentane-3-sulfonamide

C6H15NO2S — CID 94347262

IUPAC(3R)-2-methylpentane-3-sulfonamide
SMILESCC[C@H](C(C)C)S(N)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-4-6(5(2)3)10(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9)/t6-/m1/s1
InChIKeyQNTORGLIMFIRJA-ZCFIWIBFSA-N
MW165.26 g/mol
LogP0.71
Rot. Bonds3

About (3R)-2-methylpentane-3-sulfonamide

(3R)-2-methylpentane-3-sulfonamide (PubChem CID 94347262) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is (3R)-2-methylpentane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-2-methylpentane-3-sulfonamide
PubChem CID94347262
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name(3R)-2-methylpentane-3-sulfonamide
SMILESCC[C@H](C(C)C)S(N)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-4-6(5(2)3)10(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9)/t6-/m1/s1
InChIKeyQNTORGLIMFIRJA-ZCFIWIBFSA-N
XLogP0.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylhex-5-ene-3-sulfonamide
CID 130367234
3-methylheptane-4-sulfonamide
CID 87086949
2,2-dimethylpentane-3-sulfonamide
CID 87086978
1-(aminosulfonimidoyl)-2-methylbutane
CID 154660444
1-fluoropropane-1-sulfonamide
CID 87626452
4-methylhexane-3-sulfonic acid
CID 175310277
(4S)-4-methylhexane-3-sulfonic acid
CID 118543691
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) 2-methylpentane-3-sulfonate
CID 163976086
1-fluoropropane-2-sulfonamide
CID 175141025
4-methylpentane-2-sulfonamide
CID 54354651
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methylpentane-3-sulfonamide?
The IUPAC name of (3R)-2-methylpentane-3-sulfonamide (CID 94347262) is (3R)-2-methylpentane-3-sulfonamide.
What is the SMILES notation for (3R)-2-methylpentane-3-sulfonamide?
The canonical SMILES for (3R)-2-methylpentane-3-sulfonamide is CC[C@H](C(C)C)S(N)(=O)=O.
What is the InChIKey of (3R)-2-methylpentane-3-sulfonamide?
The InChIKey is QNTORGLIMFIRJA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-6(5(2)3)10(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9)/t6-/m1/s1.
What are the key properties of (3R)-2-methylpentane-3-sulfonamide?
(3R)-2-methylpentane-3-sulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methylpentane-3-sulfonamide is sourced from PubChem (CID 94347262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).