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

C9H20N2O4S2 — CID 103834903

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCCSCCCO)N1CCOCC1
InChIInChI=1S/C9H20N2O4S2/c12-5-1-8-16-9-2-10-17(13,14)11-3-6-15-7-4-11/h10,12H,1-9H2
InChIKeySMYXZKFHTMENAT-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.73
Rot. Bonds8

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

N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide (PubChem CID 103834903) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
PubChem CID103834903
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCCSCCCO)N1CCOCC1
InChIInChI=1S/C9H20N2O4S2/c12-5-1-8-16-9-2-10-17(13,14)11-3-6-15-7-4-11/h10,12H,1-9H2
InChIKeySMYXZKFHTMENAT-UHFFFAOYSA-N
XLogP-0.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.73
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]oxane-4-sulfonamide
CID 113317319
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
7-(morpholin-4-ylsulfonylamino)heptanoic acid
CID 28784453
N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide
CID 47141638
N-[3-(ethylamino)propyl]morpholine-4-sulfonamide
CID 43606633
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide
CID 103835686
2-hydroxy-3-(morpholin-4-ylsulfonylamino)propanamide
CID 106169265
N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide
CID 65033687
N-[2-(2-methoxyethylamino)ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120717809
2-[[2-(morpholin-4-ylsulfonylamino)acetyl]amino]acetic acid
CID 43465613

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide (CID 103834903) is N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide is O=S(=O)(NCCSCCCO)N1CCOCC1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide?
The InChIKey is SMYXZKFHTMENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c12-5-1-8-16-9-2-10-17(13,14)11-3-6-15-7-4-11/h10,12H,1-9H2.
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.73, 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]morpholine-4-sulfonamide is sourced from PubChem (CID 103834903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).