ethane;1-methylsulfinylpyrrolidine-3-carboxamide

C8H18N2O2S — CID 168939869

IUPACethane;1-methylsulfinylpyrrolidine-3-carboxamide
SMILESCC.CS(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C6H12N2O2S.C2H6/c1-11(10)8-3-2-5(4-8)6(7)9;1-2/h5H,2-4H2,1H3,(H2,7,9);1-2H3
InChIKeyOTALODMNIRLDHB-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.11
Rot. Bonds2

About ethane;1-methylsulfinylpyrrolidine-3-carboxamide

ethane;1-methylsulfinylpyrrolidine-3-carboxamide (PubChem CID 168939869) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is ethane;1-methylsulfinylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Nameethane;1-methylsulfinylpyrrolidine-3-carboxamide
PubChem CID168939869
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Nameethane;1-methylsulfinylpyrrolidine-3-carboxamide
SMILESCC.CS(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C6H12N2O2S.C2H6/c1-11(10)8-3-2-5(4-8)6(7)9;1-2/h5H,2-4H2,1H3,(H2,7,9);1-2H3
InChIKeyOTALODMNIRLDHB-UHFFFAOYSA-N
XLogP0.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-iodopyrrolidine-3-carboxamide
CID 144745483
(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
methyl 1-methylsulfinylpiperidine-3-carboxylate
CID 130762657
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 166069617
1-(2-cyclohexylpropyl)pyrrolidine-3-carboxamide
CID 126798055
1-(trideuteriomethyl)piperidine-4-carboxamide
CID 140737186
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 117008143
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylsulfinylpyrrolidine-3-carboxamide?
The IUPAC name of ethane;1-methylsulfinylpyrrolidine-3-carboxamide (CID 168939869) is ethane;1-methylsulfinylpyrrolidine-3-carboxamide.
What is the SMILES notation for ethane;1-methylsulfinylpyrrolidine-3-carboxamide?
The canonical SMILES for ethane;1-methylsulfinylpyrrolidine-3-carboxamide is CC.CS(=O)N1CCC(C(N)=O)C1.
What is the InChIKey of ethane;1-methylsulfinylpyrrolidine-3-carboxamide?
The InChIKey is OTALODMNIRLDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S.C2H6/c1-11(10)8-3-2-5(4-8)6(7)9;1-2/h5H,2-4H2,1H3,(H2,7,9);1-2H3.
What are the key properties of ethane;1-methylsulfinylpyrrolidine-3-carboxamide?
ethane;1-methylsulfinylpyrrolidine-3-carboxamide has a molecular weight of 206.31 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylsulfinylpyrrolidine-3-carboxamide is sourced from PubChem (CID 168939869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).