N-(1-cyanoethyl)morpholine-4-sulfonamide

C7H13N3O3S — CID 61123447

IUPACN-(1-cyanoethyl)morpholine-4-sulfonamide
SMILESCC(C#N)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H13N3O3S/c1-7(6-8)9-14(11,12)10-2-4-13-5-3-10/h7,9H,2-5H2,1H3
InChIKeyURLCJUTYSBVRKG-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.93
Rot. Bonds3

About N-(1-cyanoethyl)morpholine-4-sulfonamide

N-(1-cyanoethyl)morpholine-4-sulfonamide (PubChem CID 61123447) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(1-cyanoethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)morpholine-4-sulfonamide
PubChem CID61123447
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-(1-cyanoethyl)morpholine-4-sulfonamide
SMILESCC(C#N)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H13N3O3S/c1-7(6-8)9-14(11,12)10-2-4-13-5-3-10/h7,9H,2-5H2,1H3
InChIKeyURLCJUTYSBVRKG-UHFFFAOYSA-N
XLogP-0.93
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
(2S)-2-(morpholin-4-ylsulfonylamino)propanoic acid
CID 10354183
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 115754877
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626
N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 79267830
N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide
CID 65033713
N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133
4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 114807878
N-(1-thiophen-2-ylethyl)morpholine-4-sulfonamide
CID 47141625
N-bromomorpholine-4-sulfonamide
CID 117126249
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
CID 125445339
N-[1-(4-ethylphenyl)ethyl]morpholine-4-sulfonamide
CID 47141626

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-cyanoethyl)morpholine-4-sulfonamide (CID 61123447) is N-(1-cyanoethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-cyanoethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-cyanoethyl)morpholine-4-sulfonamide is CC(C#N)NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1-cyanoethyl)morpholine-4-sulfonamide?
The InChIKey is URLCJUTYSBVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-7(6-8)9-14(11,12)10-2-4-13-5-3-10/h7,9H,2-5H2,1H3.
What are the key properties of N-(1-cyanoethyl)morpholine-4-sulfonamide?
N-(1-cyanoethyl)morpholine-4-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 61123447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).