N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide

C10H23NO3S — CID 146435835

IUPACN-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide
SMILESCC(C)C[C@@H](CCO)NS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-8(2)7-10(5-6-12)11-15(13,14)9(3)4/h8-12H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyCLOZPZVSXVSAMQ-SNVBAGLBSA-N
MW237.36 g/mol
LogP1.11
Rot. Bonds7

About N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide

N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide (PubChem CID 146435835) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide
PubChem CID146435835
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide
SMILESCC(C)C[C@@H](CCO)NS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-8(2)7-10(5-6-12)11-15(13,14)9(3)4/h8-12H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyCLOZPZVSXVSAMQ-SNVBAGLBSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)propane-2-sulfonamide
CID 58551854
3-(cyclopropylamino)-5-methylhexan-1-ol
CID 112708679
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide
CID 103834354
N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide
CID 65030984
N-(4-hydroxybutan-2-yl)ethanesulfonamide
CID 78998775
(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
CID 103914395
(2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107822218
3,4,6-trimethylheptan-1-ol
CID 139847668
N-[(2R)-3-methylbutan-2-yl]propane-2-sulfonamide
CID 153298586
N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide
CID 122663020

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide (CID 146435835) is N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide is CC(C)C[C@@H](CCO)NS(=O)(=O)C(C)C.
What is the InChIKey of N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide?
The InChIKey is CLOZPZVSXVSAMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-8(2)7-10(5-6-12)11-15(13,14)9(3)4/h8-12H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide?
N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-hydroxy-5-methylhexan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 146435835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).