2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide

C14H22N2OS — CID 60866013

IUPAC2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
SMILESCc1cc(C(C)NC(=O)CNCC2CC2)c(C)s1
InChIInChI=1S/C14H22N2OS/c1-9-6-13(11(3)18-9)10(2)16-14(17)8-15-7-12-4-5-12/h6,10,12,15H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyMMWNOLXMVVIVOC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.54
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide

2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide (PubChem CID 60866013) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
PubChem CID60866013
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
SMILESCc1cc(C(C)NC(=O)CNCC2CC2)c(C)s1
InChIInChI=1S/C14H22N2OS/c1-9-6-13(11(3)18-9)10(2)16-14(17)8-15-7-12-4-5-12/h6,10,12,15H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyMMWNOLXMVVIVOC-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 54910487
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61372761
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 79473033
methyl 4-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 94813602
5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
CID 107908544
2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974946
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide (CID 60866013) is 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide is Cc1cc(C(C)NC(=O)CNCC2CC2)c(C)s1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The InChIKey is MMWNOLXMVVIVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-6-13(11(3)18-9)10(2)16-14(17)8-15-7-12-4-5-12/h6,10,12,15H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide is sourced from PubChem (CID 60866013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).