[tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate

C14H31NO3SSi — CID 91740552

IUPAC[tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate
SMILESCC(C)(C)[Si](C)(C)OS(=O)(=O)CCNC1CCCCC1
InChIInChI=1S/C14H31NO3SSi/c1-14(2,3)20(4,5)18-19(16,17)12-11-15-13-9-7-6-8-10-13/h13,15H,6-12H2,1-5H3
InChIKeyBBUKZUWAMHFBLN-UHFFFAOYSA-N
MW321.56 g/mol
LogP3.26
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate

[tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate (PubChem CID 91740552) has the molecular formula C14H31NO3SSi and a molecular weight of 321.56 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate
PubChem CID91740552
Molecular FormulaC14H31NO3SSi
Molecular Weight321.56 g/mol
Exact Mass321.18
IUPAC Name[tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate
SMILESCC(C)(C)[Si](C)(C)OS(=O)(=O)CCNC1CCCCC1
InChIInChI=1S/C14H31NO3SSi/c1-14(2,3)20(4,5)18-19(16,17)12-11-15-13-9-7-6-8-10-13/h13,15H,6-12H2,1-5H3
InChIKeyBBUKZUWAMHFBLN-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-(cyclooctylamino)ethanesulfonate
CID 153294230
N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939919
N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
CID 106512958
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclobutanamine
CID 71580660
N-propylcyclohexanamine;sulfuric acid
CID 22994805
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid
CID 69446341
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate (CID 91740552) is [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate is CC(C)(C)[Si](C)(C)OS(=O)(=O)CCNC1CCCCC1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate?
The InChIKey is BBUKZUWAMHFBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3SSi/c1-14(2,3)20(4,5)18-19(16,17)12-11-15-13-9-7-6-8-10-13/h13,15H,6-12H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate?
[tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate has a molecular weight of 321.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-(cyclohexylamino)ethanesulfonate is sourced from PubChem (CID 91740552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).