1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea

C12H25N3O4S — CID 134115048

IUPAC1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea
SMILESCC(C)C(NC(=O)NS(=O)(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C12H25N3O4S/c1-9(2)11(10(3)4)13-12(16)14-20(17,18)15-5-7-19-8-6-15/h9-11H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyHRARQPVBZFXGSI-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.54
Rot. Bonds5

About 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea

1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea (PubChem CID 134115048) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea
PubChem CID134115048
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Name1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea
SMILESCC(C)C(NC(=O)NS(=O)(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C12H25N3O4S/c1-9(2)11(10(3)4)13-12(16)14-20(17,18)15-5-7-19-8-6-15/h9-11H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyHRARQPVBZFXGSI-UHFFFAOYSA-N
XLogP0.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-morpholin-4-ylsulfonylprop-2-enamide
CID 142782715
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626
(2S)-2-(morpholin-4-ylsulfonylamino)propanoic acid
CID 10354183
1-piperazin-1-ylsulfonyl-3-propan-2-ylurea
CID 170311112
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 79267830
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 115754877
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
N-(1-cyanoethyl)morpholine-4-sulfonamide
CID 61123447
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
N-bromomorpholine-4-sulfonamide
CID 117126249
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea?
The IUPAC name of 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea (CID 134115048) is 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea.
What is the SMILES notation for 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea?
The canonical SMILES for 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea is CC(C)C(NC(=O)NS(=O)(=O)N1CCOCC1)C(C)C.
What is the InChIKey of 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea?
The InChIKey is HRARQPVBZFXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-9(2)11(10(3)4)13-12(16)14-20(17,18)15-5-7-19-8-6-15/h9-11H,5-8H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea?
1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea has a molecular weight of 307.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea is sourced from PubChem (CID 134115048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).