N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide

C10H23NO2S — CID 95358214

IUPACN-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide
SMILESCC(C)CC[C@H](C)NS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)6-7-10(5)11-14(12,13)9(3)4/h8-11H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyMMKWETFHEGDTBH-JTQLQIEISA-N
MW221.37 g/mol
LogP2.14
Rot. Bonds6

About N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide

N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide (PubChem CID 95358214) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide
PubChem CID95358214
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide
SMILESCC(C)CC[C@H](C)NS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)6-7-10(5)11-14(12,13)9(3)4/h8-11H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyMMKWETFHEGDTBH-JTQLQIEISA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-cyclopropylethyl)-2-methylbutane-1-sulfonamide
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1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
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1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
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(3R)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11550269
(2R,3R)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11550270
(2R)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11586544
(3S)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11593718
(2S)-3-amino-2-fluoro-5-methylhexane-1-sulfonic acid
CID 11622600
3-Amino-2-fluoro-5-methylhexane-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide (CID 95358214) is N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide is CC(C)CC[C@H](C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide?
The InChIKey is MMKWETFHEGDTBH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H23NO2S/c1-8(2)6-7-10(5)11-14(12,13)9(3)4/h8-11H,6-7H2,1-5H3/t10-/m0/s1.
What are the key properties of N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide?
N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-methylhexan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 95358214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).