2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide

C10H19N3O2S — CID 64989052

IUPAC2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)CC1CC1
InChIInChI=1S/C10H19N3O2S/c11-10(12)8-2-1-3-9(8)13-16(14,15)6-7-4-5-7/h7-9,13H,1-6H2,(H3,11,12)
InChIKeyZMZDJFXOIRNWMC-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.42
Rot. Bonds5

About 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide

2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 64989052) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID64989052
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)CC1CC1
InChIInChI=1S/C10H19N3O2S/c11-10(12)8-2-1-3-9(8)13-16(14,15)6-7-4-5-7/h7-9,13H,1-6H2,(H3,11,12)
InChIKeyZMZDJFXOIRNWMC-UHFFFAOYSA-N
XLogP0.42
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide (CID 64989052) is 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide is [H]/N=C(\N)C1CCCC1NS(=O)(=O)CC1CC1.
What is the InChIKey of 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is ZMZDJFXOIRNWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c11-10(12)8-2-1-3-9(8)13-16(14,15)6-7-4-5-7/h7-9,13H,1-6H2,(H3,11,12).
What are the key properties of 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide?
2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 245.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 64989052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).