4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide

C15H21NO2S2 — CID 97008483

IUPAC4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1
InChIInChI=1S/C15H21NO2S2/c1-11-8-20-10-14(11)15(17)16(12-4-6-19-9-12)7-13-3-2-5-18-13/h8,10,12-13H,2-7,9H2,1H3/t12-,13-/m0/s1
InChIKeyMIGMMVUGYACSMA-STQMWFEESA-N
MW311.47 g/mol
LogP3.18
Rot. Bonds4

About 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide

4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide (PubChem CID 97008483) has the molecular formula C15H21NO2S2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
PubChem CID97008483
Molecular FormulaC15H21NO2S2
Molecular Weight311.47 g/mol
Exact Mass311.10
IUPAC Name4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1
InChIInChI=1S/C15H21NO2S2/c1-11-8-20-10-14(11)15(17)16(12-4-6-19-9-12)7-13-3-2-5-18-13/h8,10,12-13H,2-7,9H2,1H3/t12-,13-/m0/s1
InChIKeyMIGMMVUGYACSMA-STQMWFEESA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide with MolForge

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Related Compounds

3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
CID 95376670
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
N-[[(2R)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-7-carboxamide
CID 97079734
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970
5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
CID 97313157
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 61163740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide (CID 97008483) is 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide is Cc1cscc1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1.
What is the InChIKey of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide?
The InChIKey is MIGMMVUGYACSMA-STQMWFEESA-N. The full InChI is InChI=1S/C15H21NO2S2/c1-11-8-20-10-14(11)15(17)16(12-4-6-19-9-12)7-13-3-2-5-18-13/h8,10,12-13H,2-7,9H2,1H3/t12-,13-/m0/s1.
What are the key properties of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide?
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 97008483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).