9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H27ClN2OS2 — CID 120983874

IUPAC9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N(Cc1cccs1)Cc1cccs1)C2
InChIInChI=1S/C20H26N2OS2.ClH/c21-19-14-4-1-5-15(19)11-16(10-14)20(23)22(12-17-6-2-8-24-17)13-18-7-3-9-25-18;/h2-3,6-9,14-16,19H,1,4-5,10-13,21H2;1H
InChIKeyFBZPQHZCGNHMKN-UHFFFAOYSA-N
MW411.04 g/mol
LogP4.91
Rot. Bonds5

About 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983874) has the molecular formula C20H27ClN2OS2 and a molecular weight of 411.04 g/mol. Its IUPAC name is 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983874
Molecular FormulaC20H27ClN2OS2
Molecular Weight411.04 g/mol
Exact Mass410.13
IUPAC Name9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N(Cc1cccs1)Cc1cccs1)C2
InChIInChI=1S/C20H26N2OS2.ClH/c21-19-14-4-1-5-15(19)11-16(10-14)20(23)22(12-17-6-2-8-24-17)13-18-7-3-9-25-18;/h2-3,6-9,14-16,19H,1,4-5,10-13,21H2;1H
InChIKeyFBZPQHZCGNHMKN-UHFFFAOYSA-N
XLogP4.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.04
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983816
9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985408
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 63044895
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanone
CID 116580716
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271491

Frequently Asked Questions

What is the IUPAC name of 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983874) is 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N(Cc1cccs1)Cc1cccs1)C2.
What is the InChIKey of 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is FBZPQHZCGNHMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS2.ClH/c21-19-14-4-1-5-15(19)11-16(10-14)20(23)22(12-17-6-2-8-24-17)13-18-7-3-9-25-18;/h2-3,6-9,14-16,19H,1,4-5,10-13,21H2;1H.
What are the key properties of 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 411.04 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).