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

C14H24N2O3S — CID 62432892

IUPACN-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H24N2O3S/c1-14(2,3)15-9-12-8-13(19-11-12)10-16-4-6-20(17,18)7-5-16/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyMZWBQKODQQBDSS-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.40
Rot. Bonds4

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

N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62432892) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62432892
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H24N2O3S/c1-14(2,3)15-9-12-8-13(19-11-12)10-16-4-6-20(17,18)7-5-16/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyMZWBQKODQQBDSS-UHFFFAOYSA-N
XLogP1.40
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 66369440
[5-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]furan-3-yl]methanamine
CID 114083767
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid
CID 55053671
N-[[5-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 102968121
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62435863
N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62463352
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060590
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62411943
N-[[5-[(4-chloropyrazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55073517
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62932027
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (CID 62432892) is N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1coc(CN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MZWBQKODQQBDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-14(2,3)15-9-12-8-13(19-11-12)10-16-4-6-20(17,18)7-5-16/h8,11,15H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 300.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62432892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).