4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine

C13H26N4O3S — CID 55599014

IUPAC4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine
SMILESCC(C)C(CNS(=O)(=O)N(C)CCC#N)N1CCOCC1
InChIInChI=1S/C13H26N4O3S/c1-12(2)13(17-7-9-20-10-8-17)11-15-21(18,19)16(3)6-4-5-14/h12-13,15H,4,6-11H2,1-3H3
InChIKeyVAXQBGVRXSFRSB-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.02
Rot. Bonds8

About 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine

4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine (PubChem CID 55599014) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine
PubChem CID55599014
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine
SMILESCC(C)C(CNS(=O)(=O)N(C)CCC#N)N1CCOCC1
InChIInChI=1S/C13H26N4O3S/c1-12(2)13(17-7-9-20-10-8-17)11-15-21(18,19)16(3)6-4-5-14/h12-13,15H,4,6-11H2,1-3H3
InChIKeyVAXQBGVRXSFRSB-UHFFFAOYSA-N
XLogP0.02
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
CID 51079505
4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
CID 94802927
(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide
CID 95974504
1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]-1-(furan-2-yl)ethyl]pyrrolidine
CID 134035677
N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
CID 55913503
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 25497004
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
CID 35326787
2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide
CID 86818230
5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile
CID 31537587
(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine?
The IUPAC name of 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine (CID 55599014) is 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine?
The canonical SMILES for 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine is CC(C)C(CNS(=O)(=O)N(C)CCC#N)N1CCOCC1.
What is the InChIKey of 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine?
The InChIKey is VAXQBGVRXSFRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-12(2)13(17-7-9-20-10-8-17)11-15-21(18,19)16(3)6-4-5-14/h12-13,15H,4,6-11H2,1-3H3.
What are the key properties of 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine?
4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine has a molecular weight of 318.44 g/mol, XLogP of 0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine is sourced from PubChem (CID 55599014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).