N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine

C12H18N2OS — CID 62870914

IUPACN-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
SMILESCOc1ncccc1CNC1CCCSC1
InChIInChI=1S/C12H18N2OS/c1-15-12-10(4-2-6-13-12)8-14-11-5-3-7-16-9-11/h2,4,6,11,14H,3,5,7-9H2,1H3
InChIKeyGYTQNOTZLIMMAZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.08
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine

N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine (PubChem CID 62870914) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
PubChem CID62870914
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
SMILESCOc1ncccc1CNC1CCCSC1
InChIInChI=1S/C12H18N2OS/c1-15-12-10(4-2-6-13-12)8-14-11-5-3-7-16-9-11/h2,4,6,11,14H,3,5,7-9H2,1H3
InChIKeyGYTQNOTZLIMMAZ-UHFFFAOYSA-N
XLogP2.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60859005
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 54927047
N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
CID 115709441
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996
N-[(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 60859150
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574
(1R)-1-cyclohexyl-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81384352

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine (CID 62870914) is N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine is COc1ncccc1CNC1CCCSC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine?
The InChIKey is GYTQNOTZLIMMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-15-12-10(4-2-6-13-12)8-14-11-5-3-7-16-9-11/h2,4,6,11,14H,3,5,7-9H2,1H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine?
N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine has a molecular weight of 238.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine is sourced from PubChem (CID 62870914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).