1-(dimethylsulfamoylamino)-4-oxocyclohexane

C8H16N2O3S — CID 43653005

IUPAC1-(dimethylsulfamoylamino)-4-oxocyclohexane
SMILESCN(C)S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-10(2)14(12,13)9-7-3-5-8(11)6-4-7/h7,9H,3-6H2,1-2H3
InChIKeyQUJUAPLDPLNXGW-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.11
Rot. Bonds3

About 1-(dimethylsulfamoylamino)-4-oxocyclohexane

1-(dimethylsulfamoylamino)-4-oxocyclohexane (PubChem CID 43653005) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-4-oxocyclohexane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-4-oxocyclohexane
PubChem CID43653005
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-(dimethylsulfamoylamino)-4-oxocyclohexane
SMILESCN(C)S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-10(2)14(12,13)9-7-3-5-8(11)6-4-7/h7,9H,3-6H2,1-2H3
InChIKeyQUJUAPLDPLNXGW-UHFFFAOYSA-N
XLogP-0.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-4-oxocyclohexane?
The IUPAC name of 1-(dimethylsulfamoylamino)-4-oxocyclohexane (CID 43653005) is 1-(dimethylsulfamoylamino)-4-oxocyclohexane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-4-oxocyclohexane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-4-oxocyclohexane is CN(C)S(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-4-oxocyclohexane?
The InChIKey is QUJUAPLDPLNXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-10(2)14(12,13)9-7-3-5-8(11)6-4-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(dimethylsulfamoylamino)-4-oxocyclohexane?
1-(dimethylsulfamoylamino)-4-oxocyclohexane has a molecular weight of 220.29 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-4-oxocyclohexane is sourced from PubChem (CID 43653005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).