2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate

C14H24N2O4S — CID 103286182

IUPAC2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCCC(C)COC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H24N2O4S/c1-5-6-11(4)9-20-14(17)13-7-12(21(15,18)19)8-16(13)10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,15,18,19)
InChIKeyZCZQIXOLODNQPX-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.31
Rot. Bonds7

About 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate

2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 103286182) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID103286182
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCCC(C)COC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C14H24N2O4S/c1-5-6-11(4)9-20-14(17)13-7-12(21(15,18)19)8-16(13)10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,15,18,19)
InChIKeyZCZQIXOLODNQPX-UHFFFAOYSA-N
XLogP2.31
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
pentan-2-yl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 102988547
3,3-dimethylbutyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612788
2-methylpentyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 103286133
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702
N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612110
2-methylpentyl 2-methoxy-5-sulfamoylbenzoate
CID 103286167
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612172
4-methylpentyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612732
N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612366
5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 114612226

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate (CID 103286182) is 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate is CCCC(C)COC(=O)c1cc(S(N)(=O)=O)cn1C(C)C.
What is the InChIKey of 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is ZCZQIXOLODNQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-6-11(4)9-20-14(17)13-7-12(21(15,18)19)8-16(13)10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,15,18,19).
What are the key properties of 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate?
2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 316.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 103286182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).