N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide

C10H20N2O3S — CID 79594210

IUPACN-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CC#N)C(C)C
InChIInChI=1S/C10H20N2O3S/c1-9(2)12(6-5-11)16(13,14)8-7-15-10(3)4/h9-10H,6-8H2,1-4H3
InChIKeyZVKDOQYWPNYQNN-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.98
Rot. Bonds7

About N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide

N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594210) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide
PubChem CID79594210
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CC#N)C(C)C
InChIInChI=1S/C10H20N2O3S/c1-9(2)12(6-5-11)16(13,14)8-7-15-10(3)4/h9-10H,6-8H2,1-4H3
InChIKeyZVKDOQYWPNYQNN-UHFFFAOYSA-N
XLogP0.98
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propan-2-yl 2-[cyanomethyl(methyl)amino]ethanesulfonate
CID 146553171
N-methyl-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide
CID 178591680
N-(2-cyanoethyl)-2-methoxy-N-propan-2-ylethanesulfonamide
CID 55207224
N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 55208605
N-(2-cyanoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55218598
N-(cyanomethyl)-3-methoxy-N-propylpropane-1-sulfonamide
CID 55218599
N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
CID 55219622
N-(2-cyanoethyl)-N-cyclopropyl-2-methoxyethanesulfonamide
CID 61608818
N-(2-cyanoethyl)-N-ethyl-2-methoxyethanesulfonamide
CID 61609235
N-butan-2-yl-1-cyano-N-(2-methoxyethyl)methanesulfonamide
CID 61785673
1-cyano-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 61785870
1-cyano-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 61786849

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide (CID 79594210) is N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(CC#N)C(C)C.
What is the InChIKey of N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is ZVKDOQYWPNYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9(2)12(6-5-11)16(13,14)8-7-15-10(3)4/h9-10H,6-8H2,1-4H3.
What are the key properties of N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide?
N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propan-2-yl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).