N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

C14H20N2O3S — CID 75367078

IUPACN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)c1cccs1
InChIInChI=1S/C14H20N2O3S/c17-13-10(16-9-3-1-4-9)8-19-11(13)7-15-14(18)12-5-2-6-20-12/h2,5-6,9-11,13,16-17H,1,3-4,7-8H2,(H,15,18)/t10-,11-,13+/m1/s1
InChIKeyCBORKBPJDFKZNL-WZRBSPASSA-N
MW296.39 g/mol
LogP0.75
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75367078) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75367078
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)c1cccs1
InChIInChI=1S/C14H20N2O3S/c17-13-10(16-9-3-1-4-9)8-19-11(13)7-15-14(18)12-5-2-6-20-12/h2,5-6,9-11,13,16-17H,1,3-4,7-8H2,(H,15,18)/t10-,11-,13+/m1/s1
InChIKeyCBORKBPJDFKZNL-WZRBSPASSA-N
XLogP0.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
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CID 168285079
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiophene-2-carboxamide
CID 9814504
N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide
CID 71770816
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367080
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367081
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536590
N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536591
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536592
N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536593
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536595

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75367078) is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)c1cccs1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CBORKBPJDFKZNL-WZRBSPASSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-13-10(16-9-3-1-4-9)8-19-11(13)7-15-14(18)12-5-2-6-20-12/h2,5-6,9-11,13,16-17H,1,3-4,7-8H2,(H,15,18)/t10-,11-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75367078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).