2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide

C11H19N3O3S — CID 114181055

IUPAC2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)CCNC2CC2)o1
InChIInChI=1S/C11H19N3O3S/c1-2-10-7-13-11(17-10)8-14-18(15,16)6-5-12-9-3-4-9/h7,9,12,14H,2-6,8H2,1H3
InChIKeyYQPYWACKCMEVQD-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.41
Rot. Bonds8

About 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide

2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide (PubChem CID 114181055) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
PubChem CID114181055
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)CCNC2CC2)o1
InChIInChI=1S/C11H19N3O3S/c1-2-10-7-13-11(17-10)8-14-18(15,16)6-5-12-9-3-4-9/h7,9,12,14H,2-6,8H2,1H3
InChIKeyYQPYWACKCMEVQD-UHFFFAOYSA-N
XLogP0.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
CID 106378118
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106378029
2-(cyclopropylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106410989
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114180265
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 113428820
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103096714
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 110660420
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106377727
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106373721
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 106369246

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide (CID 114181055) is 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide is CCc1cnc(CNS(=O)(=O)CCNC2CC2)o1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide?
The InChIKey is YQPYWACKCMEVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-2-10-7-13-11(17-10)8-14-18(15,16)6-5-12-9-3-4-9/h7,9,12,14H,2-6,8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide?
2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 114181055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).