3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide

C12H21N3O2S2 — CID 103426987

IUPAC3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
SMILESCOCCCNc1sc(C(=O)N(C)C)c(N)c1SC
InChIInChI=1S/C12H21N3O2S2/c1-15(2)12(16)10-8(13)9(18-4)11(19-10)14-6-5-7-17-3/h14H,5-7,13H2,1-4H3
InChIKeyYASMHIDQBVSFBK-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.20
Rot. Bonds7

About 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103426987) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103426987
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
SMILESCOCCCNc1sc(C(=O)N(C)C)c(N)c1SC
InChIInChI=1S/C12H21N3O2S2/c1-15(2)12(16)10-8(13)9(18-4)11(19-10)14-6-5-7-17-3/h14H,5-7,13H2,1-4H3
InChIKeyYASMHIDQBVSFBK-UHFFFAOYSA-N
XLogP2.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-amino-5-(3-methoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103427005
3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103427044
3-amino-4-cyano-5-(3-methoxypropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103427052
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425781
3-amino-5-(hexylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103420142
methyl 3-amino-5-(4-methylpentylamino)-4-methylsulfanylthiophene-2-carboxylate
CID 103507038
1-[3-amino-5-(3-ethoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103426380
3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103424297
1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423070
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508653
1-[3-amino-4-methylsulfanyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]ethanone
CID 103505961
1-[3-amino-4-methylsulfanyl-5-(pentylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425378

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide (CID 103426987) is 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide is COCCCNc1sc(C(=O)N(C)C)c(N)c1SC.
What is the InChIKey of 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is YASMHIDQBVSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-15(2)12(16)10-8(13)9(18-4)11(19-10)14-6-5-7-17-3/h14H,5-7,13H2,1-4H3.
What are the key properties of 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103426987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).