3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide

C12H25N3O3S — CID 54992759

IUPAC3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-2-15(9-8-12(13)14-16)19(17,18)10-11-6-4-3-5-7-11/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyCWMITJKYTXZGBW-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.35
Rot. Bonds7

About 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide

3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 54992759) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
PubChem CID54992759
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-2-15(9-8-12(13)14-16)19(17,18)10-11-6-4-3-5-7-11/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyCWMITJKYTXZGBW-UHFFFAOYSA-N
XLogP1.35
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
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-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide (CID 54992759) is 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is CWMITJKYTXZGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-2-15(9-8-12(13)14-16)19(17,18)10-11-6-4-3-5-7-11/h11,16H,2-10H2,1H3,(H2,13,14).
What are the key properties of 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 291.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54992759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).