2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

C10H21N3O3S — CID 77017170

IUPAC2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C10H21N3O3S/c1-10(2,3)17(15,16)13-8-6-4-5-7(8)9(11)12-14/h7-8,13-14H,4-6H2,1-3H3,(H2,11,12)
InChIKeyAVKZGKHTAKODSD-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.62
Rot. Bonds3

About 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 77017170) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID77017170
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C10H21N3O3S/c1-10(2,3)17(15,16)13-8-6-4-5-7(8)9(11)12-14/h7-8,13-14H,4-6H2,1-3H3,(H2,11,12)
InChIKeyAVKZGKHTAKODSD-UHFFFAOYSA-N
XLogP0.62
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 77017170) is 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is CC(C)(C)S(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is AVKZGKHTAKODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-10(2,3)17(15,16)13-8-6-4-5-7(8)9(11)12-14/h7-8,13-14H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 263.36 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 77017170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).