4-amino-N-(thian-3-yl)oxane-4-carboxamide

C11H20N2O2S — CID 115763432

IUPAC4-amino-N-(thian-3-yl)oxane-4-carboxamide
SMILESNC1(C(=O)NC2CCCSC2)CCOCC1
InChIInChI=1S/C11H20N2O2S/c12-11(3-5-15-6-4-11)10(14)13-9-2-1-7-16-8-9/h9H,1-8,12H2,(H,13,14)
InChIKeyJPICIWOOEKVUQH-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.51
Rot. Bonds2

About 4-amino-N-(thian-3-yl)oxane-4-carboxamide

4-amino-N-(thian-3-yl)oxane-4-carboxamide (PubChem CID 115763432) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-amino-N-(thian-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(thian-3-yl)oxane-4-carboxamide
PubChem CID115763432
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-amino-N-(thian-3-yl)oxane-4-carboxamide
SMILESNC1(C(=O)NC2CCCSC2)CCOCC1
InChIInChI=1S/C11H20N2O2S/c12-11(3-5-15-6-4-11)10(14)13-9-2-1-7-16-8-9/h9H,1-8,12H2,(H,13,14)
InChIKeyJPICIWOOEKVUQH-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide
CID 115295068
N-(thian-3-yl)morpholine-4-carboxamide
CID 115675063
1-amino-N-(oxolan-3-yl)cyclobutane-1-carboxamide
CID 81169684
4-amino-N-(2,2,3,3-tetramethylcyclopropyl)oxane-4-carboxamide
CID 113280863
3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide
CID 64893109
1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 81168637
1-amino-N-[3-(dimethylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 119889043
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide
CID 113280766
4-amino-N-(2-cyclopropyloxolan-3-yl)oxane-4-carboxamide
CID 103951092
1-amino-N-(4-aminocyclohexyl)cyclopropane-1-carboxamide
CID 65466451
1-(thiolan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103064370

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(thian-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(thian-3-yl)oxane-4-carboxamide (CID 115763432) is 4-amino-N-(thian-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(thian-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(thian-3-yl)oxane-4-carboxamide is NC1(C(=O)NC2CCCSC2)CCOCC1.
What is the InChIKey of 4-amino-N-(thian-3-yl)oxane-4-carboxamide?
The InChIKey is JPICIWOOEKVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c12-11(3-5-15-6-4-11)10(14)13-9-2-1-7-16-8-9/h9H,1-8,12H2,(H,13,14).
What are the key properties of 4-amino-N-(thian-3-yl)oxane-4-carboxamide?
4-amino-N-(thian-3-yl)oxane-4-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(thian-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 115763432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).