(2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide

C17H22N2O2S — CID 164630619

IUPAC(2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide
SMILESCc1sc2ccccc2c1CN1CCO[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H22N2O2S/c1-12-14(13-6-4-5-7-16(13)22-12)10-19-8-9-21-15(11-19)17(20)18(2)3/h4-7,15H,8-11H2,1-3H3/t15-/m0/s1
InChIKeyPBFFGSBBUNXYMT-HNNXBMFYSA-N
MW318.44 g/mol
LogP2.50
Rot. Bonds3

About (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide

(2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide (PubChem CID 164630619) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide
PubChem CID164630619
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide
SMILESCc1sc2ccccc2c1CN1CCO[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H22N2O2S/c1-12-14(13-6-4-5-7-16(13)22-12)10-19-8-9-21-15(11-19)17(20)18(2)3/h4-7,15H,8-11H2,1-3H3/t15-/m0/s1
InChIKeyPBFFGSBBUNXYMT-HNNXBMFYSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide (CID 164630619) is (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide is Cc1sc2ccccc2c1CN1CCO[C@H](C(=O)N(C)C)C1.
What is the InChIKey of (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide?
The InChIKey is PBFFGSBBUNXYMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-14(13-6-4-5-7-16(13)22-12)10-19-8-9-21-15(11-19)17(20)18(2)3/h4-7,15H,8-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide?
(2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-4-[(2-methyl-1-benzothiophen-3-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 164630619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).