N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide

C11H19NO2S2 — CID 94197142

IUPACN-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](c1cccs1)C(C)(C)C
InChIInChI=1S/C11H19NO2S2/c1-5-16(13,14)12-10(11(2,3)4)9-7-6-8-15-9/h6-8,10,12H,5H2,1-4H3/t10-/m1/s1
InChIKeyANFHHOQSBVMUAN-SNVBAGLBSA-N
MW261.41 g/mol
LogP2.77
Rot. Bonds4

About N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide

N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide (PubChem CID 94197142) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide
PubChem CID94197142
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC NameN-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](c1cccs1)C(C)(C)C
InChIInChI=1S/C11H19NO2S2/c1-5-16(13,14)12-10(11(2,3)4)9-7-6-8-15-9/h6-8,10,12H,5H2,1-4H3/t10-/m1/s1
InChIKeyANFHHOQSBVMUAN-SNVBAGLBSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide (CID 94197142) is N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide is CCS(=O)(=O)N[C@H](c1cccs1)C(C)(C)C.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide?
The InChIKey is ANFHHOQSBVMUAN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-5-16(13,14)12-10(11(2,3)4)9-7-6-8-15-9/h6-8,10,12H,5H2,1-4H3/t10-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide?
N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide has a molecular weight of 261.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide is sourced from PubChem (CID 94197142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).