2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide

C7H17N3O2S — CID 114385518

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide
SMILESNCC1CCCN1CCS(N)(=O)=O
InChIInChI=1S/C7H17N3O2S/c8-6-7-2-1-3-10(7)4-5-13(9,11)12/h7H,1-6,8H2,(H2,9,11,12)
InChIKeyXKVLADKFYWGXIC-UHFFFAOYSA-N
MW207.30 g/mol
LogP-1.30
Rot. Bonds4

About 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide

2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide (PubChem CID 114385518) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide
PubChem CID114385518
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide
SMILESNCC1CCCN1CCS(N)(=O)=O
InChIInChI=1S/C7H17N3O2S/c8-6-7-2-1-3-10(7)4-5-13(9,11)12/h7H,1-6,8H2,(H2,9,11,12)
InChIKeyXKVLADKFYWGXIC-UHFFFAOYSA-N
XLogP-1.30
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
CID 84698058
3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile
CID 73062219
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
CID 114385443
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
CID 142779495
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
CID 103089527

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide (CID 114385518) is 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide is NCC1CCCN1CCS(N)(=O)=O.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide?
The InChIKey is XKVLADKFYWGXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c8-6-7-2-1-3-10(7)4-5-13(9,11)12/h7H,1-6,8H2,(H2,9,11,12).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide has a molecular weight of 207.30 g/mol, XLogP of -1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 114385518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).