N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine

C12H19N3S — CID 115709441

IUPACN,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
SMILESCN(C)c1ncccc1CNC1CCSC1
InChIInChI=1S/C12H19N3S/c1-15(2)12-10(4-3-6-13-12)8-14-11-5-7-16-9-11/h3-4,6,11,14H,5,7-9H2,1-2H3
InChIKeyNLWUINYGIGSNNG-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.74
Rot. Bonds4

About N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine

N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine (PubChem CID 115709441) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
PubChem CID115709441
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
SMILESCN(C)c1ncccc1CNC1CCSC1
InChIInChI=1S/C12H19N3S/c1-15(2)12-10(4-3-6-13-12)8-14-11-5-7-16-9-11/h3-4,6,11,14H,5,7-9H2,1-2H3
InChIKeyNLWUINYGIGSNNG-UHFFFAOYSA-N
XLogP1.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine 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,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
CID 29153314
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
CID 62870914
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283
N-[(2-pyrazol-1-ylphenyl)methyl]thiolan-3-amine
CID 61168288
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
3-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 62287807
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
CID 103701615

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine (CID 115709441) is N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine is CN(C)c1ncccc1CNC1CCSC1.
What is the InChIKey of N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine?
The InChIKey is NLWUINYGIGSNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15(2)12-10(4-3-6-13-12)8-14-11-5-7-16-9-11/h3-4,6,11,14H,5,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine?
N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine has a molecular weight of 237.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 115709441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).