1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide

C11H17NO3S2 — CID 164642999

IUPAC1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(C[C@H]1CCOC1)NCCc1ccsc1
InChIInChI=1S/C11H17NO3S2/c13-17(14,9-11-2-5-15-7-11)12-4-1-10-3-6-16-8-10/h3,6,8,11-12H,1-2,4-5,7,9H2/t11-/m0/s1
InChIKeyXXTPNLITPUTFSN-NSHDSACASA-N
MW275.39 g/mol
LogP1.25
Rot. Bonds6

About 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide

1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 164642999) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID164642999
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(C[C@H]1CCOC1)NCCc1ccsc1
InChIInChI=1S/C11H17NO3S2/c13-17(14,9-11-2-5-15-7-11)12-4-1-10-3-6-16-8-10/h3,6,8,11-12H,1-2,4-5,7,9H2/t11-/m0/s1
InChIKeyXXTPNLITPUTFSN-NSHDSACASA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(oxolan-3-yl)methanesulfonamide
CID 120715714
N-[2-(4-aminophenyl)ethyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
CID 120715713
1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 54972057
N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 95317371
2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 79589134
N-(oxolan-3-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115887244
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725
4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
CID 106050085
N-[2-(4-ethylphenyl)-2-methylpropyl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
CID 96563422
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
3-(propan-2-ylamino)-N-(2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 54972108
1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 106049833

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide (CID 164642999) is 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide is O=S(=O)(C[C@H]1CCOC1)NCCc1ccsc1.
What is the InChIKey of 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is XXTPNLITPUTFSN-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO3S2/c13-17(14,9-11-2-5-15-7-11)12-4-1-10-3-6-16-8-10/h3,6,8,11-12H,1-2,4-5,7,9H2/t11-/m0/s1.
What are the key properties of 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide?
1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 275.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 164642999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).