N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide

C9H19N3O2S — CID 63860043

IUPACN-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide
SMILES[H]/N=C1\CCCN1CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C9H19N3O2S/c1-9(2,11-15(3,13)14)7-12-6-4-5-8(12)10/h10-11H,4-7H2,1-3H3/b10-8+
InChIKeyYVDBEOZBRUUYSS-CSKARUKUSA-N
MW233.34 g/mol
LogP0.39
Rot. Bonds4

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

N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63860043) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63860043
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC NameN-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide
SMILES[H]/N=C1\CCCN1CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C9H19N3O2S/c1-9(2,11-15(3,13)14)7-12-6-4-5-8(12)10/h10-11H,4-7H2,1-3H3/b10-8+
InChIKeyYVDBEOZBRUUYSS-CSKARUKUSA-N
XLogP0.39
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide (CID 63860043) is N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide is [H]/N=C1\CCCN1CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is YVDBEOZBRUUYSS-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-9(2,11-15(3,13)14)7-12-6-4-5-8(12)10/h10-11H,4-7H2,1-3H3/b10-8+.
What are the key properties of N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 233.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).