(1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide

C16H24N2OS — CID 97060713

IUPAC(1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C)CCN(Cc1cccs1)C(=O)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C16H24N2OS/c1-17(2)8-9-18(11-12-5-4-10-20-12)16(19)15-13-6-3-7-14(13)15/h4-5,10,13-15H,3,6-9,11H2,1-2H3/t13-,14+,15?
InChIKeyLBOFAMOQSRRPAB-YIONKMFJSA-N
MW292.45 g/mol
LogP2.68
Rot. Bonds6

About (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 97060713) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID97060713
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C)CCN(Cc1cccs1)C(=O)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C16H24N2OS/c1-17(2)8-9-18(11-12-5-4-10-20-12)16(19)15-13-6-3-7-14(13)15/h4-5,10,13-15H,3,6-9,11H2,1-2H3/t13-,14+,15?
InChIKeyLBOFAMOQSRRPAB-YIONKMFJSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 71974354
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CID 98787782
N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide
CID 111969892
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978324
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
2-amino-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 64823784
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983874
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 97060713) is (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide is CN(C)CCN(Cc1cccs1)C(=O)C1[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LBOFAMOQSRRPAB-YIONKMFJSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17(2)8-9-18(11-12-5-4-10-20-12)16(19)15-13-6-3-7-14(13)15/h4-5,10,13-15H,3,6-9,11H2,1-2H3/t13-,14+,15?.
What are the key properties of (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 97060713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).