ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate

C11H24N2O4S — CID 113068338

IUPACethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate
SMILESCCCCCN(CCNC(=O)OCC)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-6-7-9-13(18(3,15)16)10-8-12-11(14)17-5-2/h4-10H2,1-3H3,(H,12,14)
InChIKeyYKVDHWZJHFUGOG-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.18
Rot. Bonds9

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

ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate (PubChem CID 113068338) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate
PubChem CID113068338
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Nameethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate
SMILESCCCCCN(CCNC(=O)OCC)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-6-7-9-13(18(3,15)16)10-8-12-11(14)17-5-2/h4-10H2,1-3H3,(H,12,14)
InChIKeyYKVDHWZJHFUGOG-UHFFFAOYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
ethyl N-propylcarbamate
CID 12199
ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113066185
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113068739
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate (CID 113068338) is ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate is CCCCCN(CCNC(=O)OCC)S(C)(=O)=O.
What is the InChIKey of ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate?
The InChIKey is YKVDHWZJHFUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-6-7-9-13(18(3,15)16)10-8-12-11(14)17-5-2/h4-10H2,1-3H3,(H,12,14).
What are the key properties of ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate?
ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate has a molecular weight of 280.39 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate is sourced from PubChem (CID 113068338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).