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

C15H24N2O3S — CID 75367081

IUPACN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)9-17-10-8-20-11(13(10)18)7-16-14(19)12-5-4-6-21-12/h4-6,10-11,13,17-18H,7-9H2,1-3H3,(H,16,19)/t10-,11-,13+/m1/s1
InChIKeyJFERHNJJWXQHKE-WZRBSPASSA-N
MW312.44 g/mol
LogP1.24
Rot. Bonds5

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

N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75367081) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75367081
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)9-17-10-8-20-11(13(10)18)7-16-14(19)12-5-4-6-21-12/h4-6,10-11,13,17-18H,7-9H2,1-3H3,(H,16,19)/t10-,11-,13+/m1/s1
InChIKeyJFERHNJJWXQHKE-WZRBSPASSA-N
XLogP1.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]thiophene-2-carboxamide
CID 168285079
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
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-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367078
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367080
N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536489
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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75367081) is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is JFERHNJJWXQHKE-WZRBSPASSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,3)9-17-10-8-20-11(13(10)18)7-16-14(19)12-5-4-6-21-12/h4-6,10-11,13,17-18H,7-9H2,1-3H3,(H,16,19)/t10-,11-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.24, 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-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75367081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).