(2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide

C8H18N2O3S — CID 155141522

IUPAC(2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C8H18N2O3S/c1-10(2)14(12,13)6-8(11)7-4-3-5-9-7/h7-9,11H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyMVYSHHWAAPHYLH-JGVFFNPUSA-N
MW222.31 g/mol
LogP-1.01
Rot. Bonds4

About (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide

(2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide (PubChem CID 155141522) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
PubChem CID155141522
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C8H18N2O3S/c1-10(2)14(12,13)6-8(11)7-4-3-5-9-7/h7-9,11H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyMVYSHHWAAPHYLH-JGVFFNPUSA-N
XLogP-1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The IUPAC name of (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide (CID 155141522) is (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide.
What is the SMILES notation for (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The canonical SMILES for (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide is CN(C)S(=O)(=O)C[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The InChIKey is MVYSHHWAAPHYLH-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-10(2)14(12,13)6-8(11)7-4-3-5-9-7/h7-9,11H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
(2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 155141522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).