1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide

C10H22N4O3S — CID 104978314

IUPAC1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)NS(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C10H22N4O3S/c1-9(2,3)13-18(16,17)14-10(8(11)12-15)6-4-5-7-10/h13-15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyNEGQPNXYBKURHP-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.27
Rot. Bonds4

About 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide

1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 104978314) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID104978314
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)NS(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C10H22N4O3S/c1-9(2,3)13-18(16,17)14-10(8(11)12-15)6-4-5-7-10/h13-15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyNEGQPNXYBKURHP-UHFFFAOYSA-N
XLogP0.27
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.27
H-Bond Donors ≤ 54
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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Related Compounds

N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 54947255
1-(Dimethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64407710
1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 77017132
2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
CID 104978283
1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978301
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978312
N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978313
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978317
N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978318
1-(tert-butylsulfamoylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 104978319
1-(tert-butylsulfamoylamino)-N'-hydroxycycloheptane-1-carboximidamide
CID 104978337

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 104978314) is 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is CC(C)(C)NS(=O)(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is NEGQPNXYBKURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-9(2,3)13-18(16,17)14-10(8(11)12-15)6-4-5-7-10/h13-15H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 278.38 g/mol, XLogP of 0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 104978314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).