3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H25ClN2OS — CID 119796724

IUPAC3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C2C3CCC(C3)C2N)s1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-9(7-13-6-3-10(2)20-13)18-16(19)14-11-4-5-12(8-11)15(14)17;/h3,6,9,11-12,14-15H,4-5,7-8,17H2,1-2H3,(H,18,19);1H
InChIKeyPTLUKNUSQRSBBG-UHFFFAOYSA-N
MW328.91 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119796724) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119796724
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C2C3CCC(C3)C2N)s1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-9(7-13-6-3-10(2)20-13)18-16(19)14-11-4-5-12(8-11)15(14)17;/h3,6,9,11-12,14-15H,4-5,7-8,17H2,1-2H3,(H,18,19);1H
InChIKeyPTLUKNUSQRSBBG-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779216
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119796717
3-amino-N-(1-cyclopropylpropan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119784586
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119814216
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
4-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192276
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727864
4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide
CID 114429111
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119796724) is 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1ccc(CC(C)NC(=O)C2C3CCC(C3)C2N)s1.Cl.
What is the InChIKey of 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is PTLUKNUSQRSBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-9(7-13-6-3-10(2)20-13)18-16(19)14-11-4-5-12(8-11)15(14)17;/h3,6,9,11-12,14-15H,4-5,7-8,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119796724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).