N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride

C16H25ClN2OS — CID 119573224

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc2c(s1)CCCCC2)C1CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-16(10-17,12-7-8-12)18-15(19)14-9-11-5-3-2-4-6-13(11)20-14;/h9,12H,2-8,10,17H2,1H3,(H,18,19);1H
InChIKeyFVVSZWMZRNFFCB-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.30
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride (PubChem CID 119573224) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
PubChem CID119573224
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc2c(s1)CCCCC2)C1CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-16(10-17,12-7-8-12)18-15(19)14-9-11-5-3-2-4-6-13(11)20-14;/h9,12H,2-8,10,17H2,1H3,(H,18,19);1H
InChIKeyFVVSZWMZRNFFCB-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81487088
N-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 43391481
N-(1-hydroxy-2-methylpropan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43390537
N-[3-(chloromethyl)pentan-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 114304496
2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
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CID 64996741
N-[(2R)-3,3-dimethylbutan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1247016
3,3-dimethyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)butanoic acid
CID 43467846
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride (CID 119573224) is N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride is CC(CN)(NC(=O)c1cc2c(s1)CCCCC2)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride?
The InChIKey is FVVSZWMZRNFFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-16(10-17,12-7-8-12)18-15(19)14-9-11-5-3-2-4-6-13(11)20-14;/h9,12H,2-8,10,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119573224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).