3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide

C14H23N3O3S — CID 103508693

IUPAC3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
SMILESCOc1c(NCC2CCCCO2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C14H23N3O3S/c1-17(2)14(18)12-10(15)11(19-3)13(21-12)16-8-9-6-4-5-7-20-9/h9,16H,4-8,15H2,1-3H3
InChIKeyBOZQLGHPNJIWDO-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.02
Rot. Bonds5

About 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide

3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide (PubChem CID 103508693) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
PubChem CID103508693
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
SMILESCOc1c(NCC2CCCCO2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C14H23N3O3S/c1-17(2)14(18)12-10(15)11(19-3)13(21-12)16-8-9-6-4-5-7-20-9/h9,16H,4-8,15H2,1-3H3
InChIKeyBOZQLGHPNJIWDO-UHFFFAOYSA-N
XLogP2.02
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide
CID 103426510
methyl 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508709
3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508706
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508653
methyl 3-amino-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508680
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
CID 106219038
5-acetyl-4-amino-2-(oxolan-2-ylmethylamino)thiophene-3-carbonitrile
CID 103426505
N,N-dimethyl-6-(oxan-2-ylmethylamino)pyridine-3-carboxamide
CID 78956243
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956438

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide (CID 103508693) is 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide is COc1c(NCC2CCCCO2)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is BOZQLGHPNJIWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-17(2)14(18)12-10(15)11(19-3)13(21-12)16-8-9-6-4-5-7-20-9/h9,16H,4-8,15H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide?
3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103508693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).