tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate

C9H20N2O4S — CID 139270813

IUPACtert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-9(2,3)15-8(12)10-6-7-11(4)16(5,13)14/h6-7H2,1-5H3,(H,10,12)
InChIKeyCOSNBNYFSXVRBU-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.40
Rot. Bonds4

About tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate

tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate (PubChem CID 139270813) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
PubChem CID139270813
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Nametert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-9(2,3)15-8(12)10-6-7-11(4)16(5,13)14/h6-7H2,1-5H3,(H,10,12)
InChIKeyCOSNBNYFSXVRBU-UHFFFAOYSA-N
XLogP0.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069490
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
CID 102239667
tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate
CID 166846114
tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111
2-[3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoyloxy]ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 168851314
tert-butyl N-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
CID 177165285
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonic acid;hydrochloride
CID 165179141
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate (CID 139270813) is tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate is CN(CCNC(=O)OC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate?
The InChIKey is COSNBNYFSXVRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-9(2,3)15-8(12)10-6-7-11(4)16(5,13)14/h6-7H2,1-5H3,(H,10,12).
What are the key properties of tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate has a molecular weight of 252.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate is sourced from PubChem (CID 139270813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).