1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide

C12H18N2OS — CID 65465761

IUPAC1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2(N)CC2)s1
InChIInChI=1S/C12H18N2OS/c1-8-4-5-10(16-8)9(2)14(3)11(15)12(13)6-7-12/h4-5,9H,6-7,13H2,1-3H3
InChIKeyUCGYJJQTYAJBLJ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.07
Rot. Bonds3

About 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide

1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 65465761) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID65465761
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2(N)CC2)s1
InChIInChI=1S/C12H18N2OS/c1-8-4-5-10(16-8)9(2)14(3)11(15)12(13)6-7-12/h4-5,9H,6-7,13H2,1-3H3
InChIKeyUCGYJJQTYAJBLJ-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 63122009
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
2,2-dimethyl-3-[methyl-[1-(5-methylthiophen-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837699
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 54873112
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
2-amino-N,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79805331
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60962681
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210647
4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 79527109
5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 61076317

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide (CID 65465761) is 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide is Cc1ccc(C(C)N(C)C(=O)C2(N)CC2)s1.
What is the InChIKey of 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is UCGYJJQTYAJBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-4-5-10(16-8)9(2)14(3)11(15)12(13)6-7-12/h4-5,9H,6-7,13H2,1-3H3.
What are the key properties of 1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.07, 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-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65465761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).