[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone

C13H20N2O3S2 — CID 103423081

IUPAC[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone
SMILESCCCNc1sc(C(=O)C2CC2)c(N)c1S(=O)(=O)CC
InChIInChI=1S/C13H20N2O3S2/c1-3-7-15-13-12(20(17,18)4-2)9(14)11(19-13)10(16)8-5-6-8/h8,15H,3-7,14H2,1-2H3
InChIKeyMLCNLRLRMGTOCI-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.54
Rot. Bonds7

About [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone

[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103423081) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone
PubChem CID103423081
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone
SMILESCCCNc1sc(C(=O)C2CC2)c(N)c1S(=O)(=O)CC
InChIInChI=1S/C13H20N2O3S2/c1-3-7-15-13-12(20(17,18)4-2)9(14)11(19-13)10(16)8-5-6-8/h8,15H,3-7,14H2,1-2H3
InChIKeyMLCNLRLRMGTOCI-UHFFFAOYSA-N
XLogP2.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103425606
methyl 3-amino-4-ethylsulfonyl-5-(pentylamino)thiophene-2-carboxylate
CID 103425454
1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103424444
[3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103424191
1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103427331
[3-amino-4-cyclopropyl-5-(hexylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103420087
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
1-[3-amino-5-(1-cyclopropylethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103427565
[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103428631
1-[3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103505677
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone (CID 103423081) is [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone is CCCNc1sc(C(=O)C2CC2)c(N)c1S(=O)(=O)CC.
What is the InChIKey of [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is MLCNLRLRMGTOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-3-7-15-13-12(20(17,18)4-2)9(14)11(19-13)10(16)8-5-6-8/h8,15H,3-7,14H2,1-2H3.
What are the key properties of [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone?
[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 316.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103423081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).