9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C15H27ClN2OS — CID 120983130

IUPAC9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CC2CCCC(C1)C2N)C1CCSC1.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-17(13-5-6-19-9-13)15(18)12-7-10-3-2-4-11(8-12)14(10)16;/h10-14H,2-9,16H2,1H3;1H
InChIKeyCOEWLXYGPHSSGP-UHFFFAOYSA-N
MW318.91 g/mol
LogP2.53
Rot. Bonds2

About 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983130) has the molecular formula C15H27ClN2OS and a molecular weight of 318.91 g/mol. Its IUPAC name is 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983130
Molecular FormulaC15H27ClN2OS
Molecular Weight318.91 g/mol
Exact Mass318.15
IUPAC Name9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CC2CCCC(C1)C2N)C1CCSC1.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-17(13-5-6-19-9-13)15(18)12-7-10-3-2-4-11(8-12)14(10)16;/h10-14H,2-9,16H2,1H3;1H
InChIKeyCOEWLXYGPHSSGP-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.91
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-cyclopentyl-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992749
3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide
CID 66031482
9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990005
N-methyl-N-[(3R)-thiolan-3-yl]azetidine-3-carboxamide
CID 129371666
9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791236
9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990710
9-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984156
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983130) is 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(C(=O)C1CC2CCCC(C1)C2N)C1CCSC1.Cl.
What is the InChIKey of 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is COEWLXYGPHSSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS.ClH/c1-17(13-5-6-19-9-13)15(18)12-7-10-3-2-4-11(8-12)14(10)16;/h10-14H,2-9,16H2,1H3;1H.
What are the key properties of 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 318.91 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).