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

C15H24N2O3S — CID 102886971

IUPACN-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(CN2CCS(=O)(=O)CC2C)oc1CNC1CC1
InChIInChI=1S/C15H24N2O3S/c1-11-7-14(20-15(11)8-16-13-3-4-13)9-17-5-6-21(18,19)10-12(17)2/h7,12-13,16H,3-6,8-10H2,1-2H3
InChIKeyZOMCUKJUCPWVHO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.46
Rot. Bonds5

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

N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 102886971) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID102886971
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(CN2CCS(=O)(=O)CC2C)oc1CNC1CC1
InChIInChI=1S/C15H24N2O3S/c1-11-7-14(20-15(11)8-16-13-3-4-13)9-17-5-6-21(18,19)10-12(17)2/h7,12-13,16H,3-6,8-10H2,1-2H3
InChIKeyZOMCUKJUCPWVHO-UHFFFAOYSA-N
XLogP1.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
CID 102886883
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-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62438980
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62432799
N-methyl-1-[3-methyl-5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 55070259
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 106316701
N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 102884412
N-[[5-[(4-chloropyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62443100
N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965924
N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine
CID 102884254
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 102886971) is N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine is Cc1cc(CN2CCS(=O)(=O)CC2C)oc1CNC1CC1.
What is the InChIKey of N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZOMCUKJUCPWVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-7-14(20-15(11)8-16-13-3-4-13)9-17-5-6-21(18,19)10-12(17)2/h7,12-13,16H,3-6,8-10H2,1-2H3.
What are the key properties of N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 312.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102886971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).