3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide

C13H21N3O2S — CID 103422316

IUPAC3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)CC2CCCOC2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-15-13(17)12-10(14)6-11(19-12)16(2)7-9-4-3-5-18-8-9/h6,9H,3-5,7-8,14H2,1-2H3,(H,15,17)
InChIKeySBDCXXHPADXLEZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide

3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide (PubChem CID 103422316) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide
PubChem CID103422316
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)CC2CCCOC2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-15-13(17)12-10(14)6-11(19-12)16(2)7-9-4-3-5-18-8-9/h6,9H,3-5,7-8,14H2,1-2H3,(H,15,17)
InChIKeySBDCXXHPADXLEZ-UHFFFAOYSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-ethylthiophene-2-carboxamide
CID 103417956
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103422109
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103422110
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509596
2-amino-4-fluoro-5-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 63706925
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
4-bromo-1-N-methyl-1-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726450
4-fluoro-2-N-methyl-2-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726969
1-[3-chloro-4-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 55226624
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide (CID 103422316) is 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide is CNC(=O)c1sc(N(C)CC2CCCOC2)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide?
The InChIKey is SBDCXXHPADXLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-15-13(17)12-10(14)6-11(19-12)16(2)7-9-4-3-5-18-8-9/h6,9H,3-5,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide?
3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).