1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride

C11H17ClN2OS — CID 119689266

IUPAC1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccsc1CN(C)C(=O)C1(N)CC1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-8-3-6-15-9(8)7-13(2)10(14)11(12)4-5-11;/h3,6H,4-5,7,12H2,1-2H3;1H
InChIKeyXFICVPPGUQHMMA-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.93
Rot. Bonds3

About 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119689266) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119689266
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccsc1CN(C)C(=O)C1(N)CC1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-8-3-6-15-9(8)7-13(2)10(14)11(12)4-5-11;/h3,6H,4-5,7,12H2,1-2H3;1H
InChIKeyXFICVPPGUQHMMA-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119689274
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 119891584
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride (CID 119689266) is 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride is Cc1ccsc1CN(C)C(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is XFICVPPGUQHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-8-3-6-15-9(8)7-13(2)10(14)11(12)4-5-11;/h3,6H,4-5,7,12H2,1-2H3;1H.
What are the key properties of 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119689266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).