N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine

C13H20N2O2S2 — CID 102750831

IUPACN-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H20N2O2S2/c1-10-9-18-12(8-14-11-4-5-11)13(10)19(16,17)15-6-2-3-7-15/h9,11,14H,2-8H2,1H3
InChIKeyWQFBPLNWJIVEDU-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.09
Rot. Bonds5

About N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine

N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine (PubChem CID 102750831) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
PubChem CID102750831
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H20N2O2S2/c1-10-9-18-12(8-14-11-4-5-11)13(10)19(16,17)15-6-2-3-7-15/h9,11,14H,2-8H2,1H3
InChIKeyWQFBPLNWJIVEDU-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-3-(1,4-oxazepan-4-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 102753555
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
N-[[4-methyl-3-(2-methylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750920
N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
CID 102753824
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102751317
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-pentan-2-ylthiophene-3-sulfonamide
CID 102751669
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
1-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-4,4-dimethylazepane
CID 102750707

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine (CID 102750831) is N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine is Cc1csc(CNC2CC2)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is WQFBPLNWJIVEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-10-9-18-12(8-14-11-4-5-11)13(10)19(16,17)15-6-2-3-7-15/h9,11,14H,2-8H2,1H3.
What are the key properties of N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine?
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 300.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 102750831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).