5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide

C12H21N3O2S2 — CID 112667294

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C12H21N3O2S2/c1-15(5-6-18-2)19(16,17)12-7-11(14-9-12)8-13-10-3-4-10/h7,9-10,13-14H,3-6,8H2,1-2H3
InChIKeyPVQXZFKSICUDJE-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.25
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 112667294) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide
PubChem CID112667294
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C12H21N3O2S2/c1-15(5-6-18-2)19(16,17)12-7-11(14-9-12)8-13-10-3-4-10/h7,9-10,13-14H,3-6,8H2,1-2H3
InChIKeyPVQXZFKSICUDJE-UHFFFAOYSA-N
XLogP1.25
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide
CID 81064545
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide
CID 82939796
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
CID 106035255
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide
CID 102754693
5-[(cyclopropylamino)methyl]-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106089998
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)-1H-pyrrole-3-sulfonamide
CID 106050867
5-[(cyclopropylamino)methyl]-N-(2-iodophenyl)-1H-pyrrole-3-sulfonamide
CID 106030303
5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106063054
N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 112665585
5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide
CID 79863901
5-[(cyclopropylamino)methyl]-N-(1,4-dithian-2-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106078485
N-methyl-N-(2-propan-2-yloxyethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 81064370

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide (CID 112667294) is 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide is CSCCN(C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is PVQXZFKSICUDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-15(5-6-18-2)19(16,17)12-7-11(14-9-12)8-13-10-3-4-10/h7,9-10,13-14H,3-6,8H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 112667294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).