N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide

C7H17NO5S2 — CID 170672469

IUPACN-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)CCCS(=O)(=O)NCCCO
InChIInChI=1S/C7H17NO5S2/c1-14(10,11)6-3-7-15(12,13)8-4-2-5-9/h8-9H,2-7H2,1H3
InChIKeyNKZHUPRWLNWSKO-UHFFFAOYSA-N
MW259.35 g/mol
LogP-1.28
Rot. Bonds8

About N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide

N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide (PubChem CID 170672469) has the molecular formula C7H17NO5S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
PubChem CID170672469
Molecular FormulaC7H17NO5S2
Molecular Weight259.35 g/mol
Exact Mass259.05
IUPAC NameN-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)CCCS(=O)(=O)NCCCO
InChIInChI=1S/C7H17NO5S2/c1-14(10,11)6-3-7-15(12,13)8-4-2-5-9/h8-9H,2-7H2,1H3
InChIKeyNKZHUPRWLNWSKO-UHFFFAOYSA-N
XLogP-1.28
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-2-methoxyethanesulfonamide
CID 61608871
3-(2-Aminoethylsulfonyl)propan-1-ol
CID 82180036
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide
CID 104858743
3-Aminopropan-1-ol;ethanesulfonic acid
CID 20512893
Lithium 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate
CID 20769639
2-Hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid
CID 20769640
Potassium 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate
CID 20769641
N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
CID 20769755
N-(1-hydroxypropan-2-yl)-3-methylsulfonylpropane-1-sulfonamide
CID 20769760
N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
CID 20769763
N-(3-hydroxypropyl)ethanesulfonamide
CID 22364493
N-(3-hydroxypropyl)butane-1-sulfonamide
CID 28345328

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide (CID 170672469) is N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide is CS(=O)(=O)CCCS(=O)(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is NKZHUPRWLNWSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO5S2/c1-14(10,11)6-3-7-15(12,13)8-4-2-5-9/h8-9H,2-7H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 259.35 g/mol, XLogP of -1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 170672469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).