tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate

C14H30N2O4S — CID 107445324

IUPACtert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C14H30N2O4S/c1-13(2,3)16(12(17)20-14(4,5)6)10-8-15-9-11-21(7,18)19/h15H,8-11H2,1-7H3
InChIKeyCGKFPUHVJAKJOG-UHFFFAOYSA-N
MW322.47 g/mol
LogP1.66
Rot. Bonds6

About tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate (PubChem CID 107445324) has the molecular formula C14H30N2O4S and a molecular weight of 322.47 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
PubChem CID107445324
Molecular FormulaC14H30N2O4S
Molecular Weight322.47 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C14H30N2O4S/c1-13(2,3)16(12(17)20-14(4,5)6)10-8-15-9-11-21(7,18)19/h15H,8-11H2,1-7H3
InChIKeyCGKFPUHVJAKJOG-UHFFFAOYSA-N
XLogP1.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
ethyl 3-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 107445554
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]ethyl]carbamate
CID 107445831
tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
CID 107445990
tert-butyl N-tert-butyl-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethyl]carbamate
CID 106144990
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]carbamate
CID 107446284
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate (CID 107445324) is tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNCCS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate?
The InChIKey is CGKFPUHVJAKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4S/c1-13(2,3)16(12(17)20-14(4,5)6)10-8-15-9-11-21(7,18)19/h15H,8-11H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate has a molecular weight of 322.47 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate is sourced from PubChem (CID 107445324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).