2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide

C8H18N4O3S — CID 104978275

IUPAC2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide
SMILESCCCC(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H18N4O3S/c1-2-3-7(8(9)10-13)12-16(14,15)11-6-4-5-6/h6-7,11-13H,2-5H2,1H3,(H2,9,10)
InChIKeySZDCVCFFIQSOKM-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.51
Rot. Bonds7

About 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide

2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide (PubChem CID 104978275) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide
PubChem CID104978275
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide
SMILESCCCC(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H18N4O3S/c1-2-3-7(8(9)10-13)12-16(14,15)11-6-4-5-6/h6-7,11-13H,2-5H2,1H3,(H2,9,10)
InChIKeySZDCVCFFIQSOKM-UHFFFAOYSA-N
XLogP-0.51
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.51
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide (CID 104978275) is 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide is CCCC(NS(=O)(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide?
The InChIKey is SZDCVCFFIQSOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-2-3-7(8(9)10-13)12-16(14,15)11-6-4-5-6/h6-7,11-13H,2-5H2,1H3,(H2,9,10).
What are the key properties of 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide?
2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 104978275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).