5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one

C11H20N2O3S — CID 64656327

IUPAC5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCS(=O)(=O)CC2)CCC1=O
InChIInChI=1S/C11H20N2O3S/c1-13-8-10(2-3-11(13)14)12-9-4-6-17(15,16)7-5-9/h9-10,12H,2-8H2,1H3
InChIKeyNKXMQBCEXYCRFG-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.23
Rot. Bonds2

About 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one

5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 64656327) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID64656327
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCS(=O)(=O)CC2)CCC1=O
InChIInChI=1S/C11H20N2O3S/c1-13-8-10(2-3-11(13)14)12-9-4-6-17(15,16)7-5-9/h9-10,12H,2-8H2,1H3
InChIKeyNKXMQBCEXYCRFG-UHFFFAOYSA-N
XLogP-0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutylamino)-1-methylpiperidin-2-one
CID 64655743
1-methyl-5-(thian-4-ylamino)piperidin-2-one
CID 64656130
5-[(3-methoxycyclobutyl)amino]-1-methylpiperidin-2-one
CID 104871603
1-methyl-5-(pyrrolidin-3-ylamino)piperidin-2-one
CID 79742153
5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
CID 64654722
N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine
CID 61210849
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one
CID 64655089
5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one
CID 64654323
1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one
CID 65045865
5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one
CID 64655706
1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
CID 64655130

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one (CID 64656327) is 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one is CN1CC(NC2CCS(=O)(=O)CC2)CCC1=O.
What is the InChIKey of 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is NKXMQBCEXYCRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-13-8-10(2-3-11(13)14)12-9-4-6-17(15,16)7-5-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one?
5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 260.36 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64656327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).