1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide

C13H26N2OS — CID 79587817

IUPAC1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC1CCSC(C)C
InChIInChI=1S/C13H26N2OS/c1-4-15-13(12(14)16)8-5-6-11(13)7-9-17-10(2)3/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyXFZBKBVXECUVHO-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.15
Rot. Bonds7

About 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide

1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide (PubChem CID 79587817) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
PubChem CID79587817
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC1CCSC(C)C
InChIInChI=1S/C13H26N2OS/c1-4-15-13(12(14)16)8-5-6-11(13)7-9-17-10(2)3/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyXFZBKBVXECUVHO-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
1-(ethylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 107755374
2-[2-(4-chlorophenyl)sulfanylethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79588248
2-[2-(dipropylamino)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79576868
1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79587823
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 106925423
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236
2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
CID 79588009
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564467
2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79587215
1-(ethylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79588075
1-(ethylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79576861

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide (CID 79587817) is 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCCC1CCSC(C)C.
What is the InChIKey of 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide?
The InChIKey is XFZBKBVXECUVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-15-13(12(14)16)8-5-6-11(13)7-9-17-10(2)3/h10-11,15H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide?
1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).