2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide

C7H17N3O2S — CID 106636953

IUPAC2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCCN1
InChIInChI=1S/C7H17N3O2S/c8-13(11,12)5-4-9-6-7-2-1-3-10-7/h7,9-10H,1-6H2,(H2,8,11,12)
InChIKeyLALLSXCIFLYZHU-UHFFFAOYSA-N
MW207.30 g/mol
LogP-1.38
Rot. Bonds5

About 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide

2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide (PubChem CID 106636953) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
PubChem CID106636953
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCCN1
InChIInChI=1S/C7H17N3O2S/c8-13(11,12)5-4-9-6-7-2-1-3-10-7/h7,9-10H,1-6H2,(H2,8,11,12)
InChIKeyLALLSXCIFLYZHU-UHFFFAOYSA-N
XLogP-1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106633143
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine
CID 84686147
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638054
N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106333681
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106638352
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
CID 106040479
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide?
The IUPAC name of 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide (CID 106636953) is 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide?
The canonical SMILES for 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide is NS(=O)(=O)CCNCC1CCCN1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide?
The InChIKey is LALLSXCIFLYZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c8-13(11,12)5-4-9-6-7-2-1-3-10-7/h7,9-10H,1-6H2,(H2,8,11,12).
What are the key properties of 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide?
2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide has a molecular weight of 207.30 g/mol, XLogP of -1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 106636953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).