N-(pyridin-3-ylmethyl)thian-4-amine

C11H16N2S — CID 43394819

IUPACN-(pyridin-3-ylmethyl)thian-4-amine
SMILESc1cncc(CNC2CCSCC2)c1
InChIInChI=1S/C11H16N2S/c1-2-10(8-12-5-1)9-13-11-3-6-14-7-4-11/h1-2,5,8,11,13H,3-4,6-7,9H2
InChIKeyKSPSBBPAUZFCHU-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.07
Rot. Bonds3

About N-(pyridin-3-ylmethyl)thian-4-amine

N-(pyridin-3-ylmethyl)thian-4-amine (PubChem CID 43394819) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)thian-4-amine
PubChem CID43394819
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-(pyridin-3-ylmethyl)thian-4-amine
SMILESc1cncc(CNC2CCSCC2)c1
InChIInChI=1S/C11H16N2S/c1-2-10(8-12-5-1)9-13-11-3-6-14-7-4-11/h1-2,5,8,11,13H,3-4,6-7,9H2
InChIKeyKSPSBBPAUZFCHU-UHFFFAOYSA-N
XLogP2.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
CID 103864382
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine
CID 79941881
2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 141409752
5,5-dimethyl-N-(pyridin-3-ylmethyl)thian-3-amine
CID 79955058
N-(quinolin-6-ylmethyl)thian-4-amine
CID 115615624

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)thian-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)thian-4-amine (CID 43394819) is N-(pyridin-3-ylmethyl)thian-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)thian-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)thian-4-amine is c1cncc(CNC2CCSCC2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)thian-4-amine?
The InChIKey is KSPSBBPAUZFCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-10(8-12-5-1)9-13-11-3-6-14-7-4-11/h1-2,5,8,11,13H,3-4,6-7,9H2.
What are the key properties of N-(pyridin-3-ylmethyl)thian-4-amine?
N-(pyridin-3-ylmethyl)thian-4-amine has a molecular weight of 208.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)thian-4-amine is sourced from PubChem (CID 43394819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).