1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide

C15H26N4O4S — CID 55573428

IUPAC1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
SMILESCC(C)CN1CCOC(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1
InChIInChI=1S/C15H26N4O4S/c1-11(2)8-19-4-5-23-12(9-19)7-17-24(21,22)13-6-14(15(16)20)18(3)10-13/h6,10-12,17H,4-5,7-9H2,1-3H3,(H2,16,20)
InChIKeyUDKVLLWBFCJMOY-UHFFFAOYSA-N
MW358.46 g/mol
LogP-0.24
Rot. Bonds7

About 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide

1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide (PubChem CID 55573428) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
PubChem CID55573428
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
SMILESCC(C)CN1CCOC(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1
InChIInChI=1S/C15H26N4O4S/c1-11(2)8-19-4-5-23-12(9-19)7-17-24(21,22)13-6-14(15(16)20)18(3)10-13/h6,10-12,17H,4-5,7-9H2,1-3H3,(H2,16,20)
InChIKeyUDKVLLWBFCJMOY-UHFFFAOYSA-N
XLogP-0.24
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
2-fluoro-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 42960735
3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 132971383
5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 39656758
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24642334
2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 136523526
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 103549022
ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
CID 6623831
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine
CID 55989548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide (CID 55573428) is 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide is CC(C)CN1CCOC(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1.
What is the InChIKey of 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide?
The InChIKey is UDKVLLWBFCJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-11(2)8-19-4-5-23-12(9-19)7-17-24(21,22)13-6-14(15(16)20)18(3)10-13/h6,10-12,17H,4-5,7-9H2,1-3H3,(H2,16,20).
What are the key properties of 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide?
1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55573428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).