2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide

C9H17N3O2S — CID 64552457

IUPAC2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)C1CC1
InChIInChI=1S/C9H17N3O2S/c10-9(11)7-2-1-3-8(7)12-15(13,14)6-4-5-6/h6-8,12H,1-5H2,(H3,10,11)
InChIKeyGATCKBYBEGUCPC-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.17
Rot. Bonds4

About 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide

2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 64552457) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID64552457
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)C1CC1
InChIInChI=1S/C9H17N3O2S/c10-9(11)7-2-1-3-8(7)12-15(13,14)6-4-5-6/h6-8,12H,1-5H2,(H3,10,11)
InChIKeyGATCKBYBEGUCPC-UHFFFAOYSA-N
XLogP0.17
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.17
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-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide (CID 64552457) is 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide is [H]/N=C(\N)C1CCCC1NS(=O)(=O)C1CC1.
What is the InChIKey of 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is GATCKBYBEGUCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c10-9(11)7-2-1-3-8(7)12-15(13,14)6-4-5-6/h6-8,12H,1-5H2,(H3,10,11).
What are the key properties of 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide?
2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 231.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 64552457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).