thiane-2-carboxamide

C6H11NOS — CID 54328325

IUPACthiane-2-carboxamide
SMILESNC(=O)C1CCCCS1
InChIInChI=1S/C6H11NOS/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H2,7,8)
InChIKeySWNOTRQEQCOECX-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.76
Rot. Bonds1

About thiane-2-carboxamide

thiane-2-carboxamide (PubChem CID 54328325) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is thiane-2-carboxamide.

Molecular Properties

Compound Namethiane-2-carboxamide
PubChem CID54328325
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Namethiane-2-carboxamide
SMILESNC(=O)C1CCCCS1
InChIInChI=1S/C6H11NOS/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H2,7,8)
InChIKeySWNOTRQEQCOECX-UHFFFAOYSA-N
XLogP0.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(thian-2-yl)propan-1-one
CID 115014219
1-(thian-2-yl)prop-2-en-1-one
CID 80622300
N-cyclobutyloxythiane-2-carboxamide
CID 154862036
2-ethoxy-1-(thian-2-yl)ethanone
CID 80622426
piperidin-1-yl(thian-2-yl)methanone
CID 80596392
thiolane-2-carbothioamide
CID 80619873
N-(1-carbamothioylcyclohexyl)thiane-2-carboxamide
CID 80593957
N-cyclopentyloxythiolane-2-carboxamide
CID 83202346
(3,5-dimethylcyclohexyl)-(thian-2-yl)methanone
CID 80622877
2-fluoro-1-(thian-2-yl)butane-1,3-dione
CID 151070272
N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide
CID 80596316
[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595775

Frequently Asked Questions

What is the IUPAC name of thiane-2-carboxamide?
The IUPAC name of thiane-2-carboxamide (CID 54328325) is thiane-2-carboxamide.
What is the SMILES notation for thiane-2-carboxamide?
The canonical SMILES for thiane-2-carboxamide is NC(=O)C1CCCCS1.
What is the InChIKey of thiane-2-carboxamide?
The InChIKey is SWNOTRQEQCOECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H2,7,8).
What are the key properties of thiane-2-carboxamide?
thiane-2-carboxamide has a molecular weight of 145.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiane-2-carboxamide is sourced from PubChem (CID 54328325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).