2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide

C10H22N4O3S — CID 76979003

IUPAC2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCN(CC)S(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C10H22N4O3S/c1-3-14(4-2)18(16,17)13-9-7-5-6-8(9)10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyCEBVRPOUGLHSNO-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.08
Rot. Bonds6

About 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide

2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 76979003) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID76979003
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCN(CC)S(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C10H22N4O3S/c1-3-14(4-2)18(16,17)13-9-7-5-6-8(9)10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyCEBVRPOUGLHSNO-UHFFFAOYSA-N
XLogP0.08
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.08
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-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 76979003) is 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is CCN(CC)S(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is CEBVRPOUGLHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-3-14(4-2)18(16,17)13-9-7-5-6-8(9)10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide?
2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 278.38 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 76979003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).