2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide

C14H22N2OS — CID 54873112

IUPAC2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)(N)C2CC2)s1
InChIInChI=1S/C14H22N2OS/c1-9-5-8-12(18-9)10(2)16(4)13(17)14(3,15)11-6-7-11/h5,8,10-11H,6-7,15H2,1-4H3
InChIKeyKIKRRNBXTDKBRA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide

2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide (PubChem CID 54873112) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
PubChem CID54873112
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)(N)C2CC2)s1
InChIInChI=1S/C14H22N2OS/c1-9-5-8-12(18-9)10(2)16(4)13(17)14(3,15)11-6-7-11/h5,8,10-11H,6-7,15H2,1-4H3
InChIKeyKIKRRNBXTDKBRA-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79805331
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
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
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
tert-butyl N-[(2S)-1-[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95181597
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
CID 61066824
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60962681
2-methyl-4-[methyl-[1-(5-methylthiophen-2-yl)ethyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950012

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide (CID 54873112) is 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide is Cc1ccc(C(C)N(C)C(=O)C(C)(N)C2CC2)s1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The InChIKey is KIKRRNBXTDKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-5-8-12(18-9)10(2)16(4)13(17)14(3,15)11-6-7-11/h5,8,10-11H,6-7,15H2,1-4H3.
What are the key properties of 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide has a molecular weight of 266.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 54873112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).