5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide

C14H21N3O2S2 — CID 106068979

IUPAC5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)c2cc(CN)n(C)c2)s1
InChIInChI=1S/C14H21N3O2S2/c1-10(6-13-5-4-11(2)20-13)16-21(18,19)14-7-12(8-15)17(3)9-14/h4-5,7,9-10,16H,6,8,15H2,1-3H3
InChIKeyIGLCRYPOZUQCDH-UHFFFAOYSA-N
MW327.48 g/mol
LogP1.76
Rot. Bonds6

About 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide

5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide (PubChem CID 106068979) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide
PubChem CID106068979
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)c2cc(CN)n(C)c2)s1
InChIInChI=1S/C14H21N3O2S2/c1-10(6-13-5-4-11(2)20-13)16-21(18,19)14-7-12(8-15)17(3)9-14/h4-5,7,9-10,16H,6,8,15H2,1-3H3
InChIKeyIGLCRYPOZUQCDH-UHFFFAOYSA-N
XLogP1.76
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
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5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
CID 81258877
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
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5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 79995810
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1-methylpyrrole-3-sulfonamide
CID 106023600
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
CID 114135134
5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106088937
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
CID 103390068
5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106051880

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide (CID 106068979) is 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide is Cc1ccc(CC(C)NS(=O)(=O)c2cc(CN)n(C)c2)s1.
What is the InChIKey of 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide?
The InChIKey is IGLCRYPOZUQCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-10(6-13-5-4-11(2)20-13)16-21(18,19)14-7-12(8-15)17(3)9-14/h4-5,7,9-10,16H,6,8,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide?
5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide has a molecular weight of 327.48 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106068979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).