3-(cyclopropylsulfonylamino)-2-methylpropanimidamide

C7H15N3O2S — CID 64554138

IUPAC3-(cyclopropylsulfonylamino)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CNS(=O)(=O)C1CC1
InChIInChI=1S/C7H15N3O2S/c1-5(7(8)9)4-10-13(11,12)6-2-3-6/h5-6,10H,2-4H2,1H3,(H3,8,9)
InChIKeyRBUOMOCSAFZJMO-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.36
Rot. Bonds5

About 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide

3-(cyclopropylsulfonylamino)-2-methylpropanimidamide (PubChem CID 64554138) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(cyclopropylsulfonylamino)-2-methylpropanimidamide
PubChem CID64554138
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name3-(cyclopropylsulfonylamino)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CNS(=O)(=O)C1CC1
InChIInChI=1S/C7H15N3O2S/c1-5(7(8)9)4-10-13(11,12)6-2-3-6/h5-6,10H,2-4H2,1H3,(H3,8,9)
InChIKeyRBUOMOCSAFZJMO-UHFFFAOYSA-N
XLogP-0.36
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide?
The IUPAC name of 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide (CID 64554138) is 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide.
What is the SMILES notation for 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide?
The canonical SMILES for 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CNS(=O)(=O)C1CC1.
What is the InChIKey of 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide?
The InChIKey is RBUOMOCSAFZJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-5(7(8)9)4-10-13(11,12)6-2-3-6/h5-6,10H,2-4H2,1H3,(H3,8,9).
What are the key properties of 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide?
3-(cyclopropylsulfonylamino)-2-methylpropanimidamide has a molecular weight of 205.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfonylamino)-2-methylpropanimidamide is sourced from PubChem (CID 64554138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).