N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide

C8H17N3O2S — CID 106337064

IUPACN-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide
SMILES[H]/N=C1\CCCN1CCCNS(C)(=O)=O
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)10-5-3-7-11-6-2-4-8(11)9/h9-10H,2-7H2,1H3/b9-8+
InChIKeySDGPPXUJFVQBDO-CMDGGOBGSA-N
MW219.31 g/mol
LogP-0.00
Rot. Bonds5

About N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide

N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide (PubChem CID 106337064) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide
PubChem CID106337064
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC NameN-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide
SMILES[H]/N=C1\CCCN1CCCNS(C)(=O)=O
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)10-5-3-7-11-6-2-4-8(11)9/h9-10H,2-7H2,1H3/b9-8+
InChIKeySDGPPXUJFVQBDO-CMDGGOBGSA-N
XLogP-0.00
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide (CID 106337064) is N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide is [H]/N=C1\CCCN1CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is SDGPPXUJFVQBDO-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-14(12,13)10-5-3-7-11-6-2-4-8(11)9/h9-10H,2-7H2,1H3/b9-8+.
What are the key properties of N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide?
N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 219.31 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 106337064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).