N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide

C10H21NO4S2 — CID 113317319

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCCSCCCO)C1CCOCC1
InChIInChI=1S/C10H21NO4S2/c12-5-1-8-16-9-4-11-17(13,14)10-2-6-15-7-3-10/h10-12H,1-9H2
InChIKeyPVQXIXZLXATJLX-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.20
Rot. Bonds8

About N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide (PubChem CID 113317319) has the molecular formula C10H21NO4S2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide
PubChem CID113317319
Molecular FormulaC10H21NO4S2
Molecular Weight283.42 g/mol
Exact Mass283.09
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCCSCCCO)C1CCOCC1
InChIInChI=1S/C10H21NO4S2/c12-5-1-8-16-9-4-11-17(13,14)10-2-6-15-7-3-10/h10-12H,1-9H2
InChIKeyPVQXIXZLXATJLX-UHFFFAOYSA-N
XLogP0.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.20
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-[2-(3-hydroxypropylsulfanyl)ethyl]-1,1-dioxothiane-4-sulfonamide
CID 103834756
N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
CID 103834903
N-(4-iodobutyl)oxane-4-sulfonamide
CID 106846685
N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
4-(oxan-4-ylsulfonylamino)butanethioamide
CID 62666040
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
CID 66127875
N-[2-(2-chloroethoxy)ethyl]oxane-4-sulfonamide
CID 65033634
2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 115427404
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
CID 103767331

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide (CID 113317319) is N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide is O=S(=O)(NCCSCCCO)C1CCOCC1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide?
The InChIKey is PVQXIXZLXATJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S2/c12-5-1-8-16-9-4-11-17(13,14)10-2-6-15-7-3-10/h10-12H,1-9H2.
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide has a molecular weight of 283.42 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]oxane-4-sulfonamide is sourced from PubChem (CID 113317319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).