2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide

C12H25N3O3S — CID 77037895

IUPAC2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-10(2)15(8-12(13)14-16)19(17,18)9-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyGYWQYQJYJBOXGF-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.35
Rot. Bonds6

About 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide

2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 77037895) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
PubChem CID77037895
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-10(2)15(8-12(13)14-16)19(17,18)9-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyGYWQYQJYJBOXGF-UHFFFAOYSA-N
XLogP1.35
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide (CID 77037895) is 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide is CC(C)N(CC(N)=NO)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is GYWQYQJYJBOXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10(2)15(8-12(13)14-16)19(17,18)9-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 291.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77037895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).