(6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C17H26N2O2S — CID 95130086

IUPAC(6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC[C@@H]1CCc2c(C(=O)N[C@H](C)CN3CCOCC3)csc2C1
InChIInChI=1S/C17H26N2O2S/c1-12-3-4-14-15(11-22-16(14)9-12)17(20)18-13(2)10-19-5-7-21-8-6-19/h11-13H,3-10H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyZZGLYVDQRGJHSM-CHWSQXEVSA-N
MW322.47 g/mol
LogP2.32
Rot. Bonds4

About (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

(6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 95130086) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID95130086
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC[C@@H]1CCc2c(C(=O)N[C@H](C)CN3CCOCC3)csc2C1
InChIInChI=1S/C17H26N2O2S/c1-12-3-4-14-15(11-22-16(14)9-12)17(20)18-13(2)10-19-5-7-21-8-6-19/h11-13H,3-10H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyZZGLYVDQRGJHSM-CHWSQXEVSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970282
(6S)-6-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51943285
6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 78789366
N-(3-hydroxy-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 65037426
(2S)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]butanedioic acid
CID 112733028
2-methyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 62676927
6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 25236645
N-(4-hydroxy-2-methylpentyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 111447060
(2R)-3,3-dimethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]butanoic acid
CID 103926498
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-propan-2-ylthiourea
CID 17373397
N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 95130086) is (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C[C@@H]1CCc2c(C(=O)N[C@H](C)CN3CCOCC3)csc2C1.
What is the InChIKey of (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is ZZGLYVDQRGJHSM-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-12-3-4-14-15(11-22-16(14)9-12)17(20)18-13(2)10-19-5-7-21-8-6-19/h11-13H,3-10H2,1-2H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
(6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 95130086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).