N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine

C12H19N3S — CID 62287128

IUPACN-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine
SMILESCNCc1cccnc1N1CCCSCC1
InChIInChI=1S/C12H19N3S/c1-13-10-11-4-2-5-14-12(11)15-6-3-8-16-9-7-15/h2,4-5,13H,3,6-10H2,1H3
InChIKeyPQHKQIGDQGHIEI-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.74
Rot. Bonds3

About N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine

N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine (PubChem CID 62287128) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine
PubChem CID62287128
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine
SMILESCNCc1cccnc1N1CCCSCC1
InChIInChI=1S/C12H19N3S/c1-13-10-11-4-2-5-14-12(11)15-6-3-8-16-9-7-15/h2,4-5,13H,3,6-10H2,1H3
InChIKeyPQHKQIGDQGHIEI-UHFFFAOYSA-N
XLogP1.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287310
N-methyl-1-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62286090
1-[2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62931499
4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
CID 61254912
N-methyl-1-[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine
CID 80629688
N-methyl-1-[2-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 61419254
N-methyl-1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 62285958
N-methyl-1-[2-methyl-4-(1,4-thiazepan-4-yl)phenyl]methanamine
CID 62134711
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]-N-methylmethanamine
CID 79925344
[3-fluoro-2-(1,4-thiazepan-4-yl)-4-pyridinyl]methanol
CID 105382959
4-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-1,4-thiazepane
CID 105383521
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine (CID 62287128) is N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine is CNCc1cccnc1N1CCCSCC1.
What is the InChIKey of N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine?
The InChIKey is PQHKQIGDQGHIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-13-10-11-4-2-5-14-12(11)15-6-3-8-16-9-7-15/h2,4-5,13H,3,6-10H2,1H3.
What are the key properties of N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine?
N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine has a molecular weight of 237.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62287128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).