N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine

C14H24N2O2S2 — CID 102753824

IUPACN-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCNCc1scc(C)c1S(=O)(=O)N1CCCC(C)CC1
InChIInChI=1S/C14H24N2O2S2/c1-11-5-4-7-16(8-6-11)20(17,18)14-12(2)10-19-13(14)9-15-3/h10-11,15H,4-9H2,1-3H3
InChIKeyGWNPWRPEBONILT-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.59
Rot. Bonds4

About N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine

N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 102753824) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID102753824
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCNCc1scc(C)c1S(=O)(=O)N1CCCC(C)CC1
InChIInChI=1S/C14H24N2O2S2/c1-11-5-4-7-16(8-6-11)20(17,18)14-12(2)10-19-13(14)9-15-3/h10-11,15H,4-9H2,1-3H3
InChIKeyGWNPWRPEBONILT-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102753806
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102750926
N-[[4-methyl-3-(1,4-oxazepan-4-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 102753555
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
1-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 102750419
N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106060252
N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine (CID 102753824) is N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine is CNCc1scc(C)c1S(=O)(=O)N1CCCC(C)CC1.
What is the InChIKey of N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is GWNPWRPEBONILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11-5-4-7-16(8-6-11)20(17,18)14-12(2)10-19-13(14)9-15-3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine?
N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 316.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 102753824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).