ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate

C11H22N2O5S — CID 97029196

IUPACethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)[C@@H](C)S(=O)(=O)C(C)C
InChIInChI=1S/C11H22N2O5S/c1-5-18-11(15)13-7-6-12-10(14)9(4)19(16,17)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)/t9-/m1/s1
InChIKeyZKIWLDAYTSMWFE-SECBINFHSA-N
MW294.37 g/mol
LogP0.06
Rot. Bonds7

About ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate

ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate (PubChem CID 97029196) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
PubChem CID97029196
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nameethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)[C@@H](C)S(=O)(=O)C(C)C
InChIInChI=1S/C11H22N2O5S/c1-5-18-11(15)13-7-6-12-10(14)9(4)19(16,17)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)/t9-/m1/s1
InChIKeyZKIWLDAYTSMWFE-SECBINFHSA-N
XLogP0.06
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-[[(2S)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
CID 97029197
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
ethyl N-[2-(1-methylsulfonylpropan-2-ylamino)ethyl]carbamate
CID 115901299
2-(ethoxycarbonylamino)ethyl methanesulfonate
CID 19775872
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-propylcarbamate
CID 12199
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
CID 108893697
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
ethyl N-(2-hydroxy-3-methylbutyl)carbamate
CID 112702713
ethyl N-[2-(2-methylpentylamino)ethyl]carbamate
CID 115906876

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate (CID 97029196) is ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)[C@@H](C)S(=O)(=O)C(C)C.
What is the InChIKey of ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate?
The InChIKey is ZKIWLDAYTSMWFE-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-5-18-11(15)13-7-6-12-10(14)9(4)19(16,17)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)/t9-/m1/s1.
What are the key properties of ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate?
ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate is sourced from PubChem (CID 97029196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).