(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C10H18N2O2S — CID 79388557

IUPAC(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC1NCCC1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C10H18N2O2S/c1-8-9(2-3-11-8)10(13)12-4-6-15(14)7-5-12/h8-9,11H,2-7H2,1H3
InChIKeyKFCAJFAOPNBYHC-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.42
Rot. Bonds1

About (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 79388557) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID79388557
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC1NCCC1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C10H18N2O2S/c1-8-9(2-3-11-8)10(13)12-4-6-15(14)7-5-12/h8-9,11H,2-7H2,1H3
InChIKeyKFCAJFAOPNBYHC-UHFFFAOYSA-N
XLogP-0.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 79388557) is (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is CC1NCCC1C(=O)N1CCS(=O)CC1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is KFCAJFAOPNBYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-8-9(2-3-11-8)10(13)12-4-6-15(14)7-5-12/h8-9,11H,2-7H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 230.33 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 79388557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).