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

C10H22N2O2S — CID 59472435

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)11-4-5-12-6-8-15(13,14)9-7-12/h11H,4-9H2,1-3H3
InChIKeySYCUPQIPMPDSKI-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.10
Rot. Bonds3

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

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 59472435) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine
PubChem CID59472435
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)11-4-5-12-6-8-15(13,14)9-7-12/h11H,4-9H2,1-3H3
InChIKeySYCUPQIPMPDSKI-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
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-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine (CID 59472435) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is SYCUPQIPMPDSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)11-4-5-12-6-8-15(13,14)9-7-12/h11H,4-9H2,1-3H3.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 234.36 g/mol, XLogP of 0.10, 3 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]-2-methylpropan-2-amine is sourced from PubChem (CID 59472435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).