methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate

C15H32N2O4S — CID 88980556

IUPACmethyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate
SMILESCOC(=O)N(CCN(C(C)(C)C)S(C)(=O)=O)C(C)C(C)(C)C
InChIInChI=1S/C15H32N2O4S/c1-12(14(2,3)4)16(13(18)21-8)10-11-17(15(5,6)7)22(9,19)20/h12H,10-11H2,1-9H3
InChIKeyNDENSDCTQHJAMP-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.55
Rot. Bonds5

About methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate

methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate (PubChem CID 88980556) has the molecular formula C15H32N2O4S and a molecular weight of 336.50 g/mol. Its IUPAC name is methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate
PubChem CID88980556
Molecular FormulaC15H32N2O4S
Molecular Weight336.50 g/mol
Exact Mass336.21
IUPAC Namemethyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate
SMILESCOC(=O)N(CCN(C(C)(C)C)S(C)(=O)=O)C(C)C(C)(C)C
InChIInChI=1S/C15H32N2O4S/c1-12(14(2,3)4)16(13(18)21-8)10-11-17(15(5,6)7)22(9,19)20/h12H,10-11H2,1-9H3
InChIKeyNDENSDCTQHJAMP-UHFFFAOYSA-N
XLogP2.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
methyl N-[(2S)-3,3-dimethylbutan-2-yl]-N-[3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]carbamate
CID 58485267
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] 2-aminoacetate
CID 88980895
N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide
CID 88980561
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] 2-(methylamino)acetate
CID 88980896
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] (2S)-2-amino-3-methoxypropanoate
CID 88980625
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
N-tert-butyl-N-ethylmethanesulfonamide
CID 58540473
3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide
CID 113140775
N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2-methoxyethoxy)propyl]methanesulfonamide
CID 88980982
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] 2-(dimethylamino)acetate;hydrochloride
CID 158595512
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
CID 160795103

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate?
The IUPAC name of methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate (CID 88980556) is methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate.
What is the SMILES notation for methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate?
The canonical SMILES for methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate is COC(=O)N(CCN(C(C)(C)C)S(C)(=O)=O)C(C)C(C)(C)C.
What is the InChIKey of methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate?
The InChIKey is NDENSDCTQHJAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4S/c1-12(14(2,3)4)16(13(18)21-8)10-11-17(15(5,6)7)22(9,19)20/h12H,10-11H2,1-9H3.
What are the key properties of methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate?
methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate has a molecular weight of 336.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate is sourced from PubChem (CID 88980556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).