N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide

C6H15NO3S — CID 39237442

IUPACN-[(2S)-2-hydroxypropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](C)O
InChIInChI=1S/C6H15NO3S/c1-3-4-11(9,10)7-5-6(2)8/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyMHCJZWCUSLDAOU-LURJTMIESA-N
MW181.26 g/mol
LogP-0.30
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide

N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide (PubChem CID 39237442) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]propane-1-sulfonamide
PubChem CID39237442
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-[(2S)-2-hydroxypropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](C)O
InChIInChI=1S/C6H15NO3S/c1-3-4-11(9,10)7-5-6(2)8/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyMHCJZWCUSLDAOU-LURJTMIESA-N
XLogP-0.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide (CID 39237442) is N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@H](C)O.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide?
The InChIKey is MHCJZWCUSLDAOU-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO3S/c1-3-4-11(9,10)7-5-6(2)8/h6-8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide?
N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide is sourced from PubChem (CID 39237442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).