(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide

C14H22N2O2S — CID 95774049

IUPAC(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
SMILESCc1ccc(C[C@H](C)NC(=O)N2CCOC[C@@H]2C)s1
InChIInChI=1S/C14H22N2O2S/c1-10(8-13-5-4-12(3)19-13)15-14(17)16-6-7-18-9-11(16)2/h4-5,10-11H,6-9H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyDCLNWEIQJSNWRO-QWRGUYRKSA-N
MW282.41 g/mol
LogP2.42
Rot. Bonds3

About (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide

(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 95774049) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
PubChem CID95774049
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
SMILESCc1ccc(C[C@H](C)NC(=O)N2CCOC[C@@H]2C)s1
InChIInChI=1S/C14H22N2O2S/c1-10(8-13-5-4-12(3)19-13)15-14(17)16-6-7-18-9-11(16)2/h4-5,10-11H,6-9H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyDCLNWEIQJSNWRO-QWRGUYRKSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide (CID 95774049) is (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide is Cc1ccc(C[C@H](C)NC(=O)N2CCOC[C@@H]2C)s1.
What is the InChIKey of (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is DCLNWEIQJSNWRO-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(8-13-5-4-12(3)19-13)15-14(17)16-6-7-18-9-11(16)2/h4-5,10-11H,6-9H2,1-3H3,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide?
(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 95774049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).