N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine

C15H24N2O2S2 — CID 102750899

IUPACN-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C15H24N2O2S2/c1-11-4-3-7-17(9-11)21(18,19)15-12(2)10-20-14(15)8-16-13-5-6-13/h10-11,13,16H,3-9H2,1-2H3
InChIKeyCQKKLWAUGUHSTA-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.73
Rot. Bonds5

About N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine

N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine (PubChem CID 102750899) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
PubChem CID102750899
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C15H24N2O2S2/c1-11-4-3-7-17(9-11)21(18,19)15-12(2)10-20-14(15)8-16-13-5-6-13/h10-11,13,16H,3-9H2,1-2H3
InChIKeyCQKKLWAUGUHSTA-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
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-[[4-methyl-3-(1,4-oxazepan-4-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 102753555
N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
CID 102753824
4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 102747498
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102751087
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102750121
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-pentan-2-ylthiophene-3-sulfonamide
CID 102751669
N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750
1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102753806

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine (CID 102750899) is N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine is Cc1csc(CNC2CC2)c1S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is CQKKLWAUGUHSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-11-4-3-7-17(9-11)21(18,19)15-12(2)10-20-14(15)8-16-13-5-6-13/h10-11,13,16H,3-9H2,1-2H3.
What are the key properties of N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine?
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 328.50 g/mol, XLogP of 2.73, 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-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102750899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).