N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide

C9H20N2O2S — CID 172528593

IUPACN-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC[C@@H]1CCCN1
InChIInChI=1S/C9H20N2O2S/c1-8(2)11-14(12,13)7-5-9-4-3-6-10-9/h8-11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyUGRMCCCYUBPJJB-VIFPVBQESA-N
MW220.34 g/mol
LogP0.46
Rot. Bonds5

About N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide

N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide (PubChem CID 172528593) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
PubChem CID172528593
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC[C@@H]1CCCN1
InChIInChI=1S/C9H20N2O2S/c1-8(2)11-14(12,13)7-5-9-4-3-6-10-9/h8-11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyUGRMCCCYUBPJJB-VIFPVBQESA-N
XLogP0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The IUPAC name of N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide (CID 172528593) is N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide is CC(C)NS(=O)(=O)CC[C@@H]1CCCN1.
What is the InChIKey of N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The InChIKey is UGRMCCCYUBPJJB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)11-14(12,13)7-5-9-4-3-6-10-9/h8-11H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 172528593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).