1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

C8H17N3O3S — CID 119340966

IUPAC1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)CN
InChIInChI=1S/C8H17N3O3S/c1-10-15(13,14)6-7-3-2-4-11(7)8(12)5-9/h7,10H,2-6,9H2,1H3
InChIKeyHJAATJBOOBCLPV-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.51
Rot. Bonds4

About 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 119340966) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID119340966
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)CN
InChIInChI=1S/C8H17N3O3S/c1-10-15(13,14)6-7-3-2-4-11(7)8(12)5-9/h7,10H,2-6,9H2,1H3
InChIKeyHJAATJBOOBCLPV-UHFFFAOYSA-N
XLogP-1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 119340966) is 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1CCCN1C(=O)CN.
What is the InChIKey of 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is HJAATJBOOBCLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-10-15(13,14)6-7-3-2-4-11(7)8(12)5-9/h7,10H,2-6,9H2,1H3.
What are the key properties of 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 235.31 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 119340966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).