N-cyclohexyl-1,1-dioxothiolan-3-amine

C10H19NO2S — CID 3152340

IUPACN-cyclohexyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCCCC2)C1
InChIInChI=1S/C10H19NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h9-11H,1-8H2
InChIKeyOHSNGEHDOIRAAE-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.10
Rot. Bonds2

About N-cyclohexyl-1,1-dioxothiolan-3-amine

N-cyclohexyl-1,1-dioxothiolan-3-amine (PubChem CID 3152340) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-cyclohexyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-1,1-dioxothiolan-3-amine
PubChem CID3152340
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-cyclohexyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCCCC2)C1
InChIInChI=1S/C10H19NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h9-11H,1-8H2
InChIKeyOHSNGEHDOIRAAE-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclopentylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16247866
2-(Cyclohexylazaniumyl)ethanesulfonate
CID 3852474
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
N-butyl-1,1-dioxothiolan-3-amine
CID 2831159
Ethanesulfonic acid, 2-(cyclohexylamino)-, sodium salt (1:1)
CID 23666805
Sodium 3-(cyclohexylamino)propane-1-sulfonate
CID 23666801
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
2-methanesulfonyl-N-methylcyclohexan-1-amine
CID 14615345
3-(Cyclohexylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 24279262
4-(Cyclohexanesulfonyl)piperidine hydrochloride
CID 72716333
potassium 2-(N-cyclohexylamino)ethane sulfonate
CID 129723896
3-(Cyclopentylamino)tetrahydrothiophene 1,1-dioxide
CID 4962278

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-cyclohexyl-1,1-dioxothiolan-3-amine (CID 3152340) is N-cyclohexyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-cyclohexyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-cyclohexyl-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-1,1-dioxothiolan-3-amine?
The InChIKey is OHSNGEHDOIRAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h9-11H,1-8H2.
What are the key properties of N-cyclohexyl-1,1-dioxothiolan-3-amine?
N-cyclohexyl-1,1-dioxothiolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 3152340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).