N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide

C12H18N2OS — CID 115301198

IUPACN-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(N)C2CC2)sc1C
InChIInChI=1S/C12H18N2OS/c1-7-5-11(16-8(7)2)12(15)14-6-10(13)9-3-4-9/h5,9-10H,3-4,6,13H2,1-2H3,(H,14,15)
InChIKeyFBTYPEXEXBGQCB-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.83
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide

N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 115301198) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID115301198
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(N)C2CC2)sc1C
InChIInChI=1S/C12H18N2OS/c1-7-5-11(16-8(7)2)12(15)14-6-10(13)9-3-4-9/h5,9-10H,3-4,6,13H2,1-2H3,(H,14,15)
InChIKeyFBTYPEXEXBGQCB-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 111426339
N-(2-amino-2-cyclopropylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103872690
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-(2-amino-2-cyclopropylethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 115301067
N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 60655347
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
N-(2,2-diethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78909936
N-[2-(diethylamino)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 86982985
N-(2-amino-2-cyclopropylethyl)thiophene-2-carboxamide
CID 115301080
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide (CID 115301198) is N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(N)C2CC2)sc1C.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is FBTYPEXEXBGQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-7-5-11(16-8(7)2)12(15)14-6-10(13)9-3-4-9/h5,9-10H,3-4,6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 115301198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).