1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine

C10H15NOS2 — CID 115696098

IUPAC1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine
SMILESc1cc(CNCC2CSCCS2)co1
InChIInChI=1S/C10H15NOS2/c1-2-12-7-9(1)5-11-6-10-8-13-3-4-14-10/h1-2,7,10-11H,3-6,8H2
InChIKeyJKAAPVGWRVICNX-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.22
Rot. Bonds4

About 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine

1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine (PubChem CID 115696098) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine
PubChem CID115696098
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine
SMILESc1cc(CNCC2CSCCS2)co1
InChIInChI=1S/C10H15NOS2/c1-2-12-7-9(1)5-11-6-10-8-13-3-4-14-10/h1-2,7,10-11H,3-6,8H2
InChIKeyJKAAPVGWRVICNX-UHFFFAOYSA-N
XLogP2.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 113256937
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(1,4-dithian-2-yl)methanamine
CID 126819995
1-(1,4-dithian-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 115696225
4-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-diethylaniline
CID 115696118
4-[(1,4-dithian-2-ylmethylamino)methyl]-2,6-difluorophenol
CID 113256943
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine
CID 102912029
3-[(1,4-dithian-2-ylmethylamino)methyl]benzamide
CID 115696182
1-(1,4-dithian-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103744771
5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-sulfonamide
CID 126833104
N-[(2,5-dichlorophenyl)methyl]-1-(1,4-dithian-2-yl)methanamine
CID 115762605
1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115685248

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine (CID 115696098) is 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine is c1cc(CNCC2CSCCS2)co1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine?
The InChIKey is JKAAPVGWRVICNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-2-12-7-9(1)5-11-6-10-8-13-3-4-14-10/h1-2,7,10-11H,3-6,8H2.
What are the key properties of 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine?
1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine has a molecular weight of 229.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine is sourced from PubChem (CID 115696098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).