N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine

C13H22N2O3S — CID 102886883

IUPACN-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1oc(CN2CCS(=O)(=O)CC2C)cc1C
InChIInChI=1S/C13H22N2O3S/c1-10-6-12(18-13(10)7-14-3)8-15-4-5-19(16,17)9-11(15)2/h6,11,14H,4-5,7-9H2,1-3H3
InChIKeyBDDFIINNYNPNOF-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.93
Rot. Bonds4

About N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine

N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine (PubChem CID 102886883) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
PubChem CID102886883
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1oc(CN2CCS(=O)(=O)CC2C)cc1C
InChIInChI=1S/C13H22N2O3S/c1-10-6-12(18-13(10)7-14-3)8-15-4-5-19(16,17)9-11(15)2/h6,11,14H,4-5,7-9H2,1-3H3
InChIKeyBDDFIINNYNPNOF-UHFFFAOYSA-N
XLogP0.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine with MolForge

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Related Compounds

N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886841
N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 102886971
N-methyl-1-[3-methyl-5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 55070259
1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 102884412
N-[[3-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62438980
1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 104692232
1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62930306
N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886933
[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine
CID 102882858
[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]hydrazine
CID 102886415
N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102884802

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine (CID 102886883) is N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine is CNCc1oc(CN2CCS(=O)(=O)CC2C)cc1C.
What is the InChIKey of N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine?
The InChIKey is BDDFIINNYNPNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10-6-12(18-13(10)7-14-3)8-15-4-5-19(16,17)9-11(15)2/h6,11,14H,4-5,7-9H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine?
N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine has a molecular weight of 286.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 102886883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).