tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate

C10H22N2O4S — CID 107237362

IUPACtert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
SMILESCCS(=O)(=O)CC(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-6-17(14,15)7-8(2)11-12-9(13)16-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyOTBLSQACVBIONH-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.84
Rot. Bonds5

About tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate

tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate (PubChem CID 107237362) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
PubChem CID107237362
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nametert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
SMILESCCS(=O)(=O)CC(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-6-17(14,15)7-8(2)11-12-9(13)16-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyOTBLSQACVBIONH-UHFFFAOYSA-N
XLogP0.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-aminopropan-2-ylamino)carbamate
CID 107237265
tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
CID 107236759
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
tert-butyl N-(1-butoxypropan-2-ylamino)carbamate
CID 172695076
tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
CID 174652881
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
CID 130666310
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
tert-butyl N-(2-propylsulfonylpropanoylamino)carbamate
CID 75405177
tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate
CID 54105539
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[[(2S)-3-oxobutan-2-yl]amino]carbamate;(3S)-3-hydrazinylbutan-2-one;methanesulfonic acid;sulfane
CID 158547067
tert-butyl N-[4-(furan-2-yl)butan-2-ylamino]carbamate
CID 107237322

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate?
The IUPAC name of tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate (CID 107237362) is tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate.
What is the SMILES notation for tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate?
The canonical SMILES for tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate is CCS(=O)(=O)CC(C)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate?
The InChIKey is OTBLSQACVBIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-6-17(14,15)7-8(2)11-12-9(13)16-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate?
tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate has a molecular weight of 266.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate is sourced from PubChem (CID 107237362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).