1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone

C14H22N2O3S2 — CID 103427331

IUPAC1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
SMILESCCS(=O)(=O)c1c(NCC2CCCC2)sc(C(C)=O)c1N
InChIInChI=1S/C14H22N2O3S2/c1-3-21(18,19)13-11(15)12(9(2)17)20-14(13)16-8-10-6-4-5-7-10/h10,16H,3-8,15H2,1-2H3
InChIKeyBKQJFVDQHAXSDB-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.93
Rot. Bonds6

About 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone

1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone (PubChem CID 103427331) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
PubChem CID103427331
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
SMILESCCS(=O)(=O)c1c(NCC2CCCC2)sc(C(C)=O)c1N
InChIInChI=1S/C14H22N2O3S2/c1-3-21(18,19)13-11(15)12(9(2)17)20-14(13)16-8-10-6-4-5-7-10/h10,16H,3-8,15H2,1-2H3
InChIKeyBKQJFVDQHAXSDB-UHFFFAOYSA-N
XLogP2.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103423081
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103424444
1-[3-amino-5-(4-aminopiperidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103525607
methyl 3-amino-4-ethylsulfonyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 103425877
methyl 3-amino-4-ethylsulfonyl-5-(pentylamino)thiophene-2-carboxylate
CID 103425454
methyl 3-amino-4-ethylsulfonyl-5-(prop-2-enylamino)thiophene-2-carboxylate
CID 103510120
3-amino-4-ethylsulfonyl-5-[(1-methylpyrrolidin-3-yl)methylamino]thiophene-2-carbonitrile
CID 103431108
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807
3-amino-4-ethylsulfonyl-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507351
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
CID 103526669
1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone
CID 103430824

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone (CID 103427331) is 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone is CCS(=O)(=O)c1c(NCC2CCCC2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone?
The InChIKey is BKQJFVDQHAXSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-21(18,19)13-11(15)12(9(2)17)20-14(13)16-8-10-6-4-5-7-10/h10,16H,3-8,15H2,1-2H3.
What are the key properties of 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone?
1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone has a molecular weight of 330.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone is sourced from PubChem (CID 103427331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).