4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

C14H22N2O2S — CID 115294700

IUPAC4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-11(2)16(10-12-4-3-9-19-12)13(17)14(15)5-7-18-8-6-14/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyCNKRANYXJGNLFO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds4

About 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (PubChem CID 115294700) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
PubChem CID115294700
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)C1(N)CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-11(2)16(10-12-4-3-9-19-12)13(17)14(15)5-7-18-8-6-14/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyCNKRANYXJGNLFO-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867
1-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
CID 76921031
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
3-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
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3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 63135259
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
CID 113280683
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709337
N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106974977

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (CID 115294700) is 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is CC(C)N(Cc1cccs1)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is CNKRANYXJGNLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)16(10-12-4-3-9-19-12)13(17)14(15)5-7-18-8-6-14/h3-4,9,11H,5-8,10,15H2,1-2H3.
What are the key properties of 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).