N'-butylsulfonyl-N,N-diethylmethanimidamide

C9H20N2O2S — CID 177399204

IUPACN'-butylsulfonyl-N,N-diethylmethanimidamide
SMILESCCCCS(=O)(=O)/N=C/N(CC)CC
InChIInChI=1S/C9H20N2O2S/c1-4-7-8-14(12,13)10-9-11(5-2)6-3/h9H,4-8H2,1-3H3/b10-9+
InChIKeyVIJMUEHCOSACEZ-MDZDMXLPSA-N
MW220.34 g/mol
LogP1.49
Rot. Bonds7

About N'-butylsulfonyl-N,N-diethylmethanimidamide

N'-butylsulfonyl-N,N-diethylmethanimidamide (PubChem CID 177399204) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N'-butylsulfonyl-N,N-diethylmethanimidamide.

Molecular Properties

Compound NameN'-butylsulfonyl-N,N-diethylmethanimidamide
PubChem CID177399204
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN'-butylsulfonyl-N,N-diethylmethanimidamide
SMILESCCCCS(=O)(=O)/N=C/N(CC)CC
InChIInChI=1S/C9H20N2O2S/c1-4-7-8-14(12,13)10-9-11(5-2)6-3/h9H,4-8H2,1-3H3/b10-9+
InChIKeyVIJMUEHCOSACEZ-MDZDMXLPSA-N
XLogP1.49
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-3-amino-3-cyanopropylidene]butane-1-sulfonamide
CID 176903940
N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
CID 18954714
N-ethyl-N-hexylformamide
CID 54565973
(1E,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 6254835
(1Z,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 5286933
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
lithium butylsulfonylazanide
CID 141349237
1-ethylsulfonylsulfonylbutane
CID 141390802
butylsulfonylchloranium
CID 20752756
lithium butane-1-sulfonate
CID 23684871
[(E)-prop-1-enyl] butane-1-sulfonate
CID 90961411
butane-1-sulfonic acid;sulfane
CID 174687882

Frequently Asked Questions

What is the IUPAC name of N'-butylsulfonyl-N,N-diethylmethanimidamide?
The IUPAC name of N'-butylsulfonyl-N,N-diethylmethanimidamide (CID 177399204) is N'-butylsulfonyl-N,N-diethylmethanimidamide.
What is the SMILES notation for N'-butylsulfonyl-N,N-diethylmethanimidamide?
The canonical SMILES for N'-butylsulfonyl-N,N-diethylmethanimidamide is CCCCS(=O)(=O)/N=C/N(CC)CC.
What is the InChIKey of N'-butylsulfonyl-N,N-diethylmethanimidamide?
The InChIKey is VIJMUEHCOSACEZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-7-8-14(12,13)10-9-11(5-2)6-3/h9H,4-8H2,1-3H3/b10-9+.
What are the key properties of N'-butylsulfonyl-N,N-diethylmethanimidamide?
N'-butylsulfonyl-N,N-diethylmethanimidamide has a molecular weight of 220.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylsulfonyl-N,N-diethylmethanimidamide is sourced from PubChem (CID 177399204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).