N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine

C12H18N2S — CID 115625870

IUPACN-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
SMILESc1ccc(CNCC2CCSCC2)nc1
InChIInChI=1S/C12H18N2S/c1-2-6-14-12(3-1)10-13-9-11-4-7-15-8-5-11/h1-3,6,11,13H,4-5,7-10H2
InChIKeySBZBTONHDNTWNO-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.31
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine

N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine (PubChem CID 115625870) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
PubChem CID115625870
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
SMILESc1ccc(CNCC2CCSCC2)nc1
InChIInChI=1S/C12H18N2S/c1-2-6-14-12(3-1)10-13-9-11-4-7-15-8-5-11/h1-3,6,11,13H,4-5,7-10H2
InChIKeySBZBTONHDNTWNO-UHFFFAOYSA-N
XLogP2.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(thian-4-ylmethylamino)methyl]pyridine-2-carboxylic acid
CID 106904943
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 83468973
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 79223198
3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol
CID 111629685
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963
1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 115584771
N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine (CID 115625870) is N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine is c1ccc(CNCC2CCSCC2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine?
The InChIKey is SBZBTONHDNTWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-6-14-12(3-1)10-13-9-11-4-7-15-8-5-11/h1-3,6,11,13H,4-5,7-10H2.
What are the key properties of N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine?
N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine is sourced from PubChem (CID 115625870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).