[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone

C14H20N2O2S — CID 103507702

IUPAC[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
SMILESC[C@@H]1CN(c2cc(N)c(C(=O)C3CC3)s2)C[C@H](C)O1
InChIInChI=1S/C14H20N2O2S/c1-8-6-16(7-9(2)18-8)12-5-11(15)14(19-12)13(17)10-3-4-10/h5,8-10H,3-4,6-7,15H2,1-2H3/t8-,9+
InChIKeySMDCRQNIKZJOHG-DTORHVGOSA-N
MW280.39 g/mol
LogP2.54
Rot. Bonds3

About [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103507702) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103507702
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
SMILESC[C@@H]1CN(c2cc(N)c(C(=O)C3CC3)s2)C[C@H](C)O1
InChIInChI=1S/C14H20N2O2S/c1-8-6-16(7-9(2)18-8)12-5-11(15)14(19-12)13(17)10-3-4-10/h5,8-10H,3-4,6-7,15H2,1-2H3/t8-,9+
InChIKeySMDCRQNIKZJOHG-DTORHVGOSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone (CID 103507702) is [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone is C[C@@H]1CN(c2cc(N)c(C(=O)C3CC3)s2)C[C@H](C)O1.
What is the InChIKey of [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is SMDCRQNIKZJOHG-DTORHVGOSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-8-6-16(7-9(2)18-8)12-5-11(15)14(19-12)13(17)10-3-4-10/h5,8-10H,3-4,6-7,15H2,1-2H3/t8-,9+.
What are the key properties of [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 280.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103507702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).