N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C10H18N2O4S2 — CID 103834780

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCSCCCO
InChIInChI=1S/C10H18N2O4S2/c1-8-10(9(2)16-12-8)18(14,15)11-4-7-17-6-3-5-13/h11,13H,3-7H2,1-2H3
InChIKeyRDAVYWYWOBJURJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.69
Rot. Bonds8

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 103834780) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID103834780
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCSCCCO
InChIInChI=1S/C10H18N2O4S2/c1-8-10(9(2)16-12-8)18(14,15)11-4-7-17-6-3-5-13/h11,13H,3-7H2,1-2H3
InChIKeyRDAVYWYWOBJURJ-UHFFFAOYSA-N
XLogP0.69
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
3-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106305301
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052089

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 103834780) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is RDAVYWYWOBJURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S2/c1-8-10(9(2)16-12-8)18(14,15)11-4-7-17-6-3-5-13/h11,13H,3-7H2,1-2H3.
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 294.40 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 103834780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).