3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide

C9H19N3O2S — CID 64989198

IUPAC3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)S(=O)(=O)CC1CC1
InChIInChI=1S/C9H19N3O2S/c1-2-12(6-5-9(10)11)15(13,14)7-8-3-4-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyQWZXTCVANFCIME-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.37
Rot. Bonds7

About 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide

3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide (PubChem CID 64989198) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
PubChem CID64989198
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)S(=O)(=O)CC1CC1
InChIInChI=1S/C9H19N3O2S/c1-2-12(6-5-9(10)11)15(13,14)7-8-3-4-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyQWZXTCVANFCIME-UHFFFAOYSA-N
XLogP0.37
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.37
H-Bond Donors ≤ 52
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-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide (CID 64989198) is 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)S(=O)(=O)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide?
The InChIKey is QWZXTCVANFCIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-2-12(6-5-9(10)11)15(13,14)7-8-3-4-8/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide?
3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide has a molecular weight of 233.34 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide is sourced from PubChem (CID 64989198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).