ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate

C11H22N2O5S — CID 113066185

IUPACethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O5S/c1-3-17-11(14)12-6-7-13(19(2,15)16)9-10-5-4-8-18-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyQCQGKJWNOYXVSA-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.17
Rot. Bonds7

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

ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate (PubChem CID 113066185) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
PubChem CID113066185
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nameethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O5S/c1-3-17-11(14)12-6-7-13(19(2,15)16)9-10-5-4-8-18-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyQCQGKJWNOYXVSA-UHFFFAOYSA-N
XLogP0.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066137
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066133
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
CID 113066193
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
CID 113066194
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113053446
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113137944
5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide
CID 113066208
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113066210
N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138072

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate (CID 113066185) is ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate is CCOC(=O)NCCN(CC1CCCO1)S(C)(=O)=O.
What is the InChIKey of ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate?
The InChIKey is QCQGKJWNOYXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-17-11(14)12-6-7-13(19(2,15)16)9-10-5-4-8-18-10/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate?
ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate is sourced from PubChem (CID 113066185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).