1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide

C9H14N2O3S — CID 22499300

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide
SMILESCc1noc(C)c1CC1(S(N)(=O)=O)CC1
InChIInChI=1S/C9H14N2O3S/c1-6-8(7(2)14-11-6)5-9(3-4-9)15(10,12)13/h3-5H2,1-2H3,(H2,10,12,13)
InChIKeySMAGCEQQHGJLCQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.66
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide (PubChem CID 22499300) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide
PubChem CID22499300
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide
SMILESCc1noc(C)c1CC1(S(N)(=O)=O)CC1
InChIInChI=1S/C9H14N2O3S/c1-6-8(7(2)14-11-6)5-9(3-4-9)15(10,12)13/h3-5H2,1-2H3,(H2,10,12,13)
InChIKeySMAGCEQQHGJLCQ-UHFFFAOYSA-N
XLogP0.66
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850191
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide
CID 171913674
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine
CID 82181181
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(methylsulfonimidoyl)methanamine
CID 164644358
4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 21060320
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154583218
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole chloride
CID 22500933
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)propane-1-sulfonamide
CID 79238152

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide (CID 22499300) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide is Cc1noc(C)c1CC1(S(N)(=O)=O)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide?
The InChIKey is SMAGCEQQHGJLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-8(7(2)14-11-6)5-9(3-4-9)15(10,12)13/h3-5H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 22499300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).