5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide

C12H18N2O2S — CID 115758077

IUPAC5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide
SMILESCC1(NCc2cc(C(N)=O)cs2)CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-12(2-4-16-5-3-12)14-7-10-6-9(8-17-10)11(13)15/h6,8,14H,2-5,7H2,1H3,(H2,13,15)
InChIKeyVKDZJJLAMFLEES-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.51
Rot. Bonds4

About 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide

5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide (PubChem CID 115758077) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide
PubChem CID115758077
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide
SMILESCC1(NCc2cc(C(N)=O)cs2)CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-12(2-4-16-5-3-12)14-7-10-6-9(8-17-10)11(13)15/h6,8,14H,2-5,7H2,1H3,(H2,13,15)
InChIKeyVKDZJJLAMFLEES-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 115735684
5-[[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)amino]methyl]thiophene-3-carboxamide
CID 75384467
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
CID 115757939
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide
CID 113321738
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562
5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide
CID 115735562
5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
CID 112701033

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide (CID 115758077) is 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide is CC1(NCc2cc(C(N)=O)cs2)CCOCC1.
What is the InChIKey of 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is VKDZJJLAMFLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2-4-16-5-3-12)14-7-10-6-9(8-17-10)11(13)15/h6,8,14H,2-5,7H2,1H3,(H2,13,15).
What are the key properties of 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide?
5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 115758077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).