N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide

C12H18N2O3S2 — CID 47141638

IUPACN-(2-phenylsulfanylethyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NCCSc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H18N2O3S2/c15-19(16,14-7-9-17-10-8-14)13-6-11-18-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyNTBHHPVXWCSJGV-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.95
Rot. Bonds6

About N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide

N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide (PubChem CID 47141638) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)morpholine-4-sulfonamide
PubChem CID47141638
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-(2-phenylsulfanylethyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NCCSc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H18N2O3S2/c15-19(16,14-7-9-17-10-8-14)13-6-11-18-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyNTBHHPVXWCSJGV-UHFFFAOYSA-N
XLogP0.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-phenylethyl)morpholine-4-sulfonamide
CID 43502480
N-[(2S)-2-methoxy-2-phenylethyl]morpholine-4-sulfonamide
CID 94024917
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide
CID 94177877
N-(2-naphthalen-1-yloxyethyl)morpholine-4-sulfonamide
CID 71939103
N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
CID 103834903
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800
1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine
CID 79222698
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622118
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide
CID 65033687

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide (CID 47141638) is N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide is O=S(=O)(NCCSc1ccccc1)N1CCOCC1.
What is the InChIKey of N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide?
The InChIKey is NTBHHPVXWCSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c15-19(16,14-7-9-17-10-8-14)13-6-11-18-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide?
N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 47141638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).