4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide

C14H20N2O2S — CID 118432628

IUPAC4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CCOCC2)cc1[C@@H]1C[C@H]1N
InChIInChI=1S/C14H20N2O2S/c1-8-10(11-6-12(11)15)7-13(19-8)14(17)16-9-2-4-18-5-3-9/h7,9,11-12H,2-6,15H2,1H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyZXGDVLZCUVXYCM-NWDGAFQWSA-N
MW280.39 g/mol
LogP1.78
Rot. Bonds3

About 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide

4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide (PubChem CID 118432628) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
PubChem CID118432628
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CCOCC2)cc1[C@@H]1C[C@H]1N
InChIInChI=1S/C14H20N2O2S/c1-8-10(11-6-12(11)15)7-13(19-8)14(17)16-9-2-4-18-5-3-9/h7,9,11-12H,2-6,15H2,1H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyZXGDVLZCUVXYCM-NWDGAFQWSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide (CID 118432628) is 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide is Cc1sc(C(=O)NC2CCOCC2)cc1[C@@H]1C[C@H]1N.
What is the InChIKey of 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide?
The InChIKey is ZXGDVLZCUVXYCM-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-8-10(11-6-12(11)15)7-13(19-8)14(17)16-9-2-4-18-5-3-9/h7,9,11-12H,2-6,15H2,1H3,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide?
4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118432628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).