N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine

C9H20N2O2S — CID 59028119

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2)10-3-4-11-5-7-14(12,13)8-6-11/h9-10H,3-8H2,1-2H3
InChIKeyIJXNHWZKPDMZJJ-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.29
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine (PubChem CID 59028119) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine
PubChem CID59028119
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2)10-3-4-11-5-7-14(12,13)8-6-11/h9-10H,3-8H2,1-2H3
InChIKeyIJXNHWZKPDMZJJ-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.29
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)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine (CID 59028119) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine is CC(C)NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine?
The InChIKey is IJXNHWZKPDMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2)10-3-4-11-5-7-14(12,13)8-6-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine has a molecular weight of 220.34 g/mol, XLogP of -0.29, 4 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)ethyl]propan-2-amine is sourced from PubChem (CID 59028119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).