ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate

C10H22N2O4S — CID 42960435

IUPACethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNS(C)(=O)=O)CC(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-16-10(13)12-9(6-8(2)3)7-11-17(4,14)15/h8-9,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyCFWOVVNLJSTLKZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.70
Rot. Bonds7

About ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate

ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate (PubChem CID 42960435) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate
PubChem CID42960435
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nameethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNS(C)(=O)=O)CC(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-16-10(13)12-9(6-8(2)3)7-11-17(4,14)15/h8-9,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyCFWOVVNLJSTLKZ-UHFFFAOYSA-N
XLogP0.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate
CID 138050158
ethyl N-[4-methyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]pentan-2-yl]carbamate
CID 111069550
ethyl N-[1-(diaminomethylideneamino)-4-methylpentan-2-yl]carbamate
CID 110927322
ethyl N-[4-methyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 111069549
tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate
CID 55654792
ethyl N-[1-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]-4-methylpentan-2-yl]carbamate
CID 110945688
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate
CID 46457653
ethyl N-[4-methyl-1-[(N'-methyl-N-pentylcarbamimidoyl)amino]pentan-2-yl]carbamate
CID 111128443

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate (CID 42960435) is ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNS(C)(=O)=O)CC(C)C.
What is the InChIKey of ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate?
The InChIKey is CFWOVVNLJSTLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-16-10(13)12-9(6-8(2)3)7-11-17(4,14)15/h8-9,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate?
ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate has a molecular weight of 266.36 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 42960435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).