4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide

C12H24N2O3S — CID 146622646

IUPAC4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCN1CCCC1COCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-13-4-2-3-12(13)11-17-8-5-14-6-9-18(15,16)10-7-14/h12H,2-11H2,1H3
InChIKeyMWIIANWSFZMJIE-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.17
Rot. Bonds5

About 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 146622646) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID146622646
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCN1CCCC1COCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-13-4-2-3-12(13)11-17-8-5-14-6-9-18(15,16)10-7-14/h12H,2-11H2,1H3
InChIKeyMWIIANWSFZMJIE-UHFFFAOYSA-N
XLogP-0.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide (CID 146622646) is 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide is CN1CCCC1COCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is MWIIANWSFZMJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-13-4-2-3-12(13)11-17-8-5-14-6-9-18(15,16)10-7-14/h12H,2-11H2,1H3.
What are the key properties of 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 276.40 g/mol, XLogP of -0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 146622646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).