N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine

C14H28N2O2S — CID 62257185

IUPACN-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-6-14(2,11-15-13-4-5-13)12-16-7-9-19(17,18)10-8-16/h13,15H,3-12H2,1-2H3
InChIKeyQTEDSKGYEFJFOT-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.28
Rot. Bonds7

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

N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine (PubChem CID 62257185) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine
PubChem CID62257185
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-6-14(2,11-15-13-4-5-13)12-16-7-9-19(17,18)10-8-16/h13,15H,3-12H2,1-2H3
InChIKeyQTEDSKGYEFJFOT-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine (CID 62257185) is N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine is CCCC(C)(CNC1CC1)CN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine?
The InChIKey is QTEDSKGYEFJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-6-14(2,11-15-13-4-5-13)12-16-7-9-19(17,18)10-8-16/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine?
N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine has a molecular weight of 288.46 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine is sourced from PubChem (CID 62257185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).