N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide

C10H18N2O2S — CID 110416246

IUPACN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(C)[nH]c1C
InChIInChI=1S/C10H18N2O2S/c1-4-5-15(13,14)11-7-10-6-8(2)12-9(10)3/h6,11-12H,4-5,7H2,1-3H3
InChIKeyVGGFXVSVIUXZAP-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.46
Rot. Bonds5

About N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide (PubChem CID 110416246) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide
PubChem CID110416246
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(C)[nH]c1C
InChIInChI=1S/C10H18N2O2S/c1-4-5-15(13,14)11-7-10-6-8(2)12-9(10)3/h6,11-12H,4-5,7H2,1-3H3
InChIKeyVGGFXVSVIUXZAP-UHFFFAOYSA-N
XLogP1.46
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide (CID 110416246) is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cc(C)[nH]c1C.
What is the InChIKey of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is VGGFXVSVIUXZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-5-15(13,14)11-7-10-6-8(2)12-9(10)3/h6,11-12H,4-5,7H2,1-3H3.
What are the key properties of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide?
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 110416246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).