N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide

C8H13NO3S2 — CID 95983458

IUPACN-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
SMILESC[C@](O)(CNS(C)(=O)=O)c1cccs1
InChIInChI=1S/C8H13NO3S2/c1-8(10,6-9-14(2,11)12)7-4-3-5-13-7/h3-5,9-10H,6H2,1-2H3/t8-/m0/s1
InChIKeyAGGHSOBOJAWJPI-QMMMGPOBSA-N
MW235.33 g/mol
LogP0.50
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide

N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide (PubChem CID 95983458) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
PubChem CID95983458
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
SMILESC[C@](O)(CNS(C)(=O)=O)c1cccs1
InChIInChI=1S/C8H13NO3S2/c1-8(10,6-9-14(2,11)12)7-4-3-5-13-7/h3-5,9-10H,6H2,1-2H3/t8-/m0/s1
InChIKeyAGGHSOBOJAWJPI-QMMMGPOBSA-N
XLogP0.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide (CID 95983458) is N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide is C[C@](O)(CNS(C)(=O)=O)c1cccs1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide?
The InChIKey is AGGHSOBOJAWJPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-8(10,6-9-14(2,11)12)7-4-3-5-13-7/h3-5,9-10H,6H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide?
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide has a molecular weight of 235.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide is sourced from PubChem (CID 95983458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).