methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate

C11H18N2O5S2 — CID 103425062

IUPACmethyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
SMILESCOCC(C)Nc1sc(C(=O)OC)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H18N2O5S2/c1-6(5-17-2)13-10-9(20(4,15)16)7(12)8(19-10)11(14)18-3/h6,13H,5,12H2,1-4H3
InChIKeyMHNOXQLJBSJONS-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.97
Rot. Bonds6

About methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate

methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate (PubChem CID 103425062) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
PubChem CID103425062
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Namemethyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
SMILESCOCC(C)Nc1sc(C(=O)OC)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H18N2O5S2/c1-6(5-17-2)13-10-9(20(4,15)16)7(12)8(19-10)11(14)18-3/h6,13H,5,12H2,1-4H3
InChIKeyMHNOXQLJBSJONS-UHFFFAOYSA-N
XLogP0.97
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103425081
1-[3-amino-4-ethylsulfonyl-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]propan-1-one
CID 103425037
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423283
3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103508194
3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103423583
methyl 4-amino-2-(1-methoxypropan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103425071
methyl 3-amino-5-(butylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425238
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103425102

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate (CID 103425062) is methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate is COCC(C)Nc1sc(C(=O)OC)c(N)c1S(C)(=O)=O.
What is the InChIKey of methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate?
The InChIKey is MHNOXQLJBSJONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-6(5-17-2)13-10-9(20(4,15)16)7(12)8(19-10)11(14)18-3/h6,13H,5,12H2,1-4H3.
What are the key properties of methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate?
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 103425062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).