3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide

C6H14N4O3S — CID 104978421

IUPAC3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
SMILESNC(CCNS(=O)(=O)NC1CC1)=NO
InChIInChI=1S/C6H14N4O3S/c7-6(9-11)3-4-8-14(12,13)10-5-1-2-5/h5,8,10-11H,1-4H2,(H2,7,9)
InChIKeyKIKPGCFAVUHUHL-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.29
Rot. Bonds6

About 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide

3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide (PubChem CID 104978421) has the molecular formula C6H14N4O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
PubChem CID104978421
Molecular FormulaC6H14N4O3S
Molecular Weight222.27 g/mol
Exact Mass222.08
IUPAC Name3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
SMILESNC(CCNS(=O)(=O)NC1CC1)=NO
InChIInChI=1S/C6H14N4O3S/c7-6(9-11)3-4-8-14(12,13)10-5-1-2-5/h5,8,10-11H,1-4H2,(H2,7,9)
InChIKeyKIKPGCFAVUHUHL-UHFFFAOYSA-N
XLogP-1.29
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.29
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 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide (CID 104978421) is 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide is NC(CCNS(=O)(=O)NC1CC1)=NO.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide?
The InChIKey is KIKPGCFAVUHUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O3S/c7-6(9-11)3-4-8-14(12,13)10-5-1-2-5/h5,8,10-11H,1-4H2,(H2,7,9).
What are the key properties of 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide?
3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide has a molecular weight of 222.27 g/mol, XLogP of -1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).