N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

C15H26N2O2S2 — CID 83046351

IUPACN-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(CNC)sc1C
InChIInChI=1S/C15H26N2O2S2/c1-4-7-13-8-5-6-9-17(13)21(18,19)15-10-14(11-16-3)20-12(15)2/h10,13,16H,4-9,11H2,1-3H3
InChIKeyLBMSWKXVEJUTLJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 83046351) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID83046351
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(CNC)sc1C
InChIInChI=1S/C15H26N2O2S2/c1-4-7-13-8-5-6-9-17(13)21(18,19)15-10-14(11-16-3)20-12(15)2/h10,13,16H,4-9,11H2,1-3H3
InChIKeyLBMSWKXVEJUTLJ-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83044541
5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053526
N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064
1-[(2S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574930
N-(cyclobutylmethyl)-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107402831
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine
CID 83046356
[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057755
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
1-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-N-methylmethanamine
CID 102971629
[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057460
3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053033
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 83046351) is N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is CCCC1CCCCN1S(=O)(=O)c1cc(CNC)sc1C.
What is the InChIKey of N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is LBMSWKXVEJUTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-7-13-8-5-6-9-17(13)21(18,19)15-10-14(11-16-3)20-12(15)2/h10,13,16H,4-9,11H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 330.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 83046351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).