5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide

C11H18N2O3S2 — CID 114135604

IUPAC5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCSCC2)cc1CO
InChIInChI=1S/C11H18N2O3S2/c1-13-7-11(6-10(13)8-14)18(15,16)12-9-2-4-17-5-3-9/h6-7,9,12,14H,2-5,8H2,1H3
InChIKeyAIGJORUNHCMPLY-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.69
Rot. Bonds4

About 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide

5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide (PubChem CID 114135604) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide
PubChem CID114135604
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCSCC2)cc1CO
InChIInChI=1S/C11H18N2O3S2/c1-13-7-11(6-10(13)8-14)18(15,16)12-9-2-4-17-5-3-9/h6-7,9,12,14H,2-5,8H2,1H3
InChIKeyAIGJORUNHCMPLY-UHFFFAOYSA-N
XLogP0.69
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide
CID 106001030
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
CID 83147385
5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072305
5-(ethylaminomethyl)-1-methyl-N-(1-methylpiperidin-3-yl)pyrrole-3-sulfonamide
CID 106017836
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
CID 106027525
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
CID 106022477
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
CID 103504126

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide (CID 114135604) is 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)NC2CCSCC2)cc1CO.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide?
The InChIKey is AIGJORUNHCMPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-13-7-11(6-10(13)8-14)18(15,16)12-9-2-4-17-5-3-9/h6-7,9,12,14H,2-5,8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide?
5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 114135604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).