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

C9H20N2O4S — CID 113065507

IUPACmethyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCN(CC(C)C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-8(2)7-11(16(4,13)14)6-5-10-9(12)15-3/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyNUUQEKMIIJNQIY-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.26
Rot. Bonds6

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

methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate (PubChem CID 113065507) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate
PubChem CID113065507
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Namemethyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCN(CC(C)C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-8(2)7-11(16(4,13)14)6-5-10-9(12)15-3/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyNUUQEKMIIJNQIY-UHFFFAOYSA-N
XLogP0.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065465
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
CID 113065451
methyl N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066983
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198
ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate
CID 113068338
2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide
CID 113148433
methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate
CID 113072035
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
3,4-dimethoxy-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068223
N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068205
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
CID 139270813

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate (CID 113065507) is methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate is COC(=O)NCCN(CC(C)C)S(C)(=O)=O.
What is the InChIKey of methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate?
The InChIKey is NUUQEKMIIJNQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8(2)7-11(16(4,13)14)6-5-10-9(12)15-3/h8H,5-7H2,1-4H3,(H,10,12).
What are the key properties of methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate?
methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate has a molecular weight of 252.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate is sourced from PubChem (CID 113065507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).