(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide

C8H18N2O3S — CID 123302269

IUPAC(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
SMILESCO[C@H]([C@@H]1CCCN1)S(=O)(=O)N(C)C
InChIInChI=1S/C8H18N2O3S/c1-10(2)14(11,12)8(13-3)7-5-4-6-9-7/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXLFTXEFGYCPHSN-YUMQZZPRSA-N
MW222.31 g/mol
LogP-0.40
Rot. Bonds4

About (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide

(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide (PubChem CID 123302269) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
PubChem CID123302269
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
SMILESCO[C@H]([C@@H]1CCCN1)S(=O)(=O)N(C)C
InChIInChI=1S/C8H18N2O3S/c1-10(2)14(11,12)8(13-3)7-5-4-6-9-7/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXLFTXEFGYCPHSN-YUMQZZPRSA-N
XLogP-0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide (CID 123302269) is (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide is CO[C@H]([C@@H]1CCCN1)S(=O)(=O)N(C)C.
What is the InChIKey of (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is XLFTXEFGYCPHSN-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-10(2)14(11,12)8(13-3)7-5-4-6-9-7/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide?
(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 123302269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).