methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate

C9H17NO5S — CID 62733314

IUPACmethyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H17NO5S/c1-14-9(11)4-5-10-16(12,13)7-8-3-2-6-15-8/h8,10H,2-7H2,1H3
InChIKeyOIOZGFNSKQPOHI-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.35
Rot. Bonds6

About methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate

methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate (PubChem CID 62733314) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
PubChem CID62733314
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Namemethyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H17NO5S/c1-14-9(11)4-5-10-16(12,13)7-8-3-2-6-15-8/h8,10H,2-7H2,1H3
InChIKeyOIOZGFNSKQPOHI-UHFFFAOYSA-N
XLogP-0.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(cyclopropylmethylsulfonylamino)propanoate
CID 64989493
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445
N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247487

Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate?
The IUPAC name of methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate (CID 62733314) is methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate is COC(=O)CCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate?
The InChIKey is OIOZGFNSKQPOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-14-9(11)4-5-10-16(12,13)7-8-3-2-6-15-8/h8,10H,2-7H2,1H3.
What are the key properties of methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate?
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate has a molecular weight of 251.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate is sourced from PubChem (CID 62733314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).