N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide

C9H16N2O2S2 — CID 93157794

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide
SMILESCN(C)[C@@H](CNS(C)(=O)=O)c1cccs1
InChIInChI=1S/C9H16N2O2S2/c1-11(2)8(7-10-15(3,12)13)9-5-4-6-14-9/h4-6,8,10H,7H2,1-3H3/t8-/m0/s1
InChIKeyHMPQAPHKDXZBCR-QMMMGPOBSA-N
MW248.37 g/mol
LogP0.90
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide (PubChem CID 93157794) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide
PubChem CID93157794
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide
SMILESCN(C)[C@@H](CNS(C)(=O)=O)c1cccs1
InChIInChI=1S/C9H16N2O2S2/c1-11(2)8(7-10-15(3,12)13)9-5-4-6-14-9/h4-6,8,10H,7H2,1-3H3/t8-/m0/s1
InChIKeyHMPQAPHKDXZBCR-QMMMGPOBSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide (CID 93157794) is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide is CN(C)[C@@H](CNS(C)(=O)=O)c1cccs1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide?
The InChIKey is HMPQAPHKDXZBCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-11(2)8(7-10-15(3,12)13)9-5-4-6-14-9/h4-6,8,10H,7H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide has a molecular weight of 248.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide is sourced from PubChem (CID 93157794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).