N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

C15H26N2O2S2 — CID 83044541

IUPACN-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(C)c(CNC)s1
InChIInChI=1S/C15H26N2O2S2/c1-4-7-13-8-5-6-9-17(13)21(18,19)15-10-12(2)14(20-15)11-16-3/h10,13,16H,4-9,11H2,1-3H3
InChIKeyQUJDALXRMMFQJR-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 83044541) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID83044541
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(C)c(CNC)s1
InChIInChI=1S/C15H26N2O2S2/c1-4-7-13-8-5-6-9-17(13)21(18,19)15-10-12(2)14(20-15)11-16-3/h10,13,16H,4-9,11H2,1-3H3
InChIKeyQUJDALXRMMFQJR-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

[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057755
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83046351
1-[5-(chloromethyl)-4-methylthiophen-2-yl]sulfonyl-2-ethylazepane
CID 104692838
N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103504278
2-(2-bromoethyl)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80671382
N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine
CID 83046357
1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106094784
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120712181
5-(2-ethylazepan-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104689156
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine
CID 79989386
N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
CID 103415164

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 83044541) is N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is CCCC1CCCCN1S(=O)(=O)c1cc(C)c(CNC)s1.
What is the InChIKey of N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is QUJDALXRMMFQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-7-13-8-5-6-9-17(13)21(18,19)15-10-12(2)14(20-15)11-16-3/h10,13,16H,4-9,11H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
N-methyl-1-[3-methyl-5-(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-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 83044541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).