1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide

C13H21N3OS — CID 81172793

IUPAC1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1(N)CCC1)c1cccs1
InChIInChI=1S/C13H21N3OS/c1-16(2)10(11-5-3-8-18-11)9-15-12(17)13(14)6-4-7-13/h3,5,8,10H,4,6-7,9,14H2,1-2H3,(H,15,17)
InChIKeyPUOKXWKMBLAGLG-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.35
Rot. Bonds5

About 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide

1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide (PubChem CID 81172793) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
PubChem CID81172793
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1(N)CCC1)c1cccs1
InChIInChI=1S/C13H21N3OS/c1-16(2)10(11-5-3-8-18-11)9-15-12(17)13(14)6-4-7-13/h3,5,8,10H,4,6-7,9,14H2,1-2H3,(H,15,17)
InChIKeyPUOKXWKMBLAGLG-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 4807610
1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 146133848
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 81172882
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
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N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 61250903
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide (CID 81172793) is 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide is CN(C)C(CNC(=O)C1(N)CCC1)c1cccs1.
What is the InChIKey of 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide?
The InChIKey is PUOKXWKMBLAGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-16(2)10(11-5-3-8-18-11)9-15-12(17)13(14)6-4-7-13/h3,5,8,10H,4,6-7,9,14H2,1-2H3,(H,15,17).
What are the key properties of 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81172793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).