N-(pyrrolidin-2-ylmethyl)ethanesulfonamide

C7H16N2O2S — CID 62540603

IUPACN-(pyrrolidin-2-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCCN1
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)9-6-7-4-3-5-8-7/h7-9H,2-6H2,1H3
InChIKeyLTESDXNBKKQRCT-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.32
Rot. Bonds4

About N-(pyrrolidin-2-ylmethyl)ethanesulfonamide

N-(pyrrolidin-2-ylmethyl)ethanesulfonamide (PubChem CID 62540603) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)ethanesulfonamide
PubChem CID62540603
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-(pyrrolidin-2-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCCN1
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)9-6-7-4-3-5-8-7/h7-9H,2-6H2,1H3
InChIKeyLTESDXNBKKQRCT-UHFFFAOYSA-N
XLogP-0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)ethanesulfonamide (CID 62540603) is N-(pyrrolidin-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)ethanesulfonamide?
The InChIKey is LTESDXNBKKQRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-12(10,11)9-6-7-4-3-5-8-7/h7-9H,2-6H2,1H3.
What are the key properties of N-(pyrrolidin-2-ylmethyl)ethanesulfonamide?
N-(pyrrolidin-2-ylmethyl)ethanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 62540603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).