N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C17H26N2OS — CID 79490850

IUPACN-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C17H26N2OS/c1-12(10-14-7-5-9-21-14)19(2)17(20)16-11-13-6-3-4-8-15(13)18-16/h5,7,9,12-13,15-16,18H,3-4,6,8,10-11H2,1-2H3
InChIKeyVDEFVAAVFTYMNZ-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 79490850) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID79490850
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C17H26N2OS/c1-12(10-14-7-5-9-21-14)19(2)17(20)16-11-13-6-3-4-8-15(13)18-16/h5,7,9,12-13,15-16,18H,3-4,6,8,10-11H2,1-2H3
InChIKeyVDEFVAAVFTYMNZ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893333
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 79494889
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 79494572
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119830029
3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
N-[(3-hydroxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60954154
N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43564520
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262416
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 119270995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 79490850) is N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC(Cc1cccs1)N(C)C(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is VDEFVAAVFTYMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12(10-14-7-5-9-21-14)19(2)17(20)16-11-13-6-3-4-8-15(13)18-16/h5,7,9,12-13,15-16,18H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 306.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 79490850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).