N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine

C11H22N2O2S — CID 62433804

IUPACN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H22N2O2S/c1-10(8-12-11-2-3-11)9-13-4-6-16(14,15)7-5-13/h10-12H,2-9H2,1H3
InChIKeyVMVFSPGNUKYDJU-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.10
Rot. Bonds5

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

N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine (PubChem CID 62433804) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine
PubChem CID62433804
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H22N2O2S/c1-10(8-12-11-2-3-11)9-13-4-6-16(14,15)7-5-13/h10-12H,2-9H2,1H3
InChIKeyVMVFSPGNUKYDJU-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine (CID 62433804) is N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)CN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine?
The InChIKey is VMVFSPGNUKYDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(8-12-11-2-3-11)9-13-4-6-16(14,15)7-5-13/h10-12H,2-9H2,1H3.
What are the key properties of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine?
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine has a molecular weight of 246.38 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 62433804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).