N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C15H22N2OS — CID 102891672

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1NCC2CCCC21
InChIInChI=1S/C15H22N2OS/c1-10-6-7-19-13(10)9-17(2)15(18)14-12-5-3-4-11(12)8-16-14/h6-7,11-12,14,16H,3-5,8-9H2,1-2H3
InChIKeyLXTNYDWLEJPLDX-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.40
Rot. Bonds3

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891672) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891672
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1NCC2CCCC21
InChIInChI=1S/C15H22N2OS/c1-10-6-7-19-13(10)9-17(2)15(18)14-12-5-3-4-11(12)8-16-14/h6-7,11-12,14,16H,3-5,8-9H2,1-2H3
InChIKeyLXTNYDWLEJPLDX-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891898
N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891896
N-[(2-bromophenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891550
9-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983816
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890726
N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893333
N-(2-methoxyethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892028
3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 47127701
3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 78799786
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119689284
N-(4-methoxyphenyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892885
N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890692

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891672) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is Cc1ccsc1CN(C)C(=O)C1NCC2CCCC21.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is LXTNYDWLEJPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-6-7-19-13(10)9-17(2)15(18)14-12-5-3-4-11(12)8-16-14/h6-7,11-12,14,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).