tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate

C15H32N2O4S — CID 103913902

IUPACtert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
SMILESCCN(CCCNC(C)CS(=O)(=O)CC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O4S/c1-7-17(14(18)21-15(4,5)6)11-9-10-16-13(3)12-22(19,20)8-2/h13,16H,7-12H2,1-6H3
InChIKeyJQZFHFMAIIUBIF-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.05
Rot. Bonds9

About tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate

tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate (PubChem CID 103913902) has the molecular formula C15H32N2O4S and a molecular weight of 336.50 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
PubChem CID103913902
Molecular FormulaC15H32N2O4S
Molecular Weight336.50 g/mol
Exact Mass336.21
IUPAC Nametert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
SMILESCCN(CCCNC(C)CS(=O)(=O)CC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O4S/c1-7-17(14(18)21-15(4,5)6)11-9-10-16-13(3)12-22(19,20)8-2/h13,16H,7-12H2,1-6H3
InChIKeyJQZFHFMAIIUBIF-UHFFFAOYSA-N
XLogP2.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.05
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

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tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
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tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
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tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
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tert-butyl N,N-dipentylcarbamate
CID 65142743
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
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CID 107245256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate (CID 103913902) is tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate is CCN(CCCNC(C)CS(=O)(=O)CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate?
The InChIKey is JQZFHFMAIIUBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4S/c1-7-17(14(18)21-15(4,5)6)11-9-10-16-13(3)12-22(19,20)8-2/h13,16H,7-12H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate?
tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate has a molecular weight of 336.50 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 103913902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).