N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H18N2O4S — CID 126850365

IUPACN-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1(O)C=CCCC1
InChIInChI=1S/C12H18N2O4S/c1-9-11(10(2)18-14-9)19(16,17)13-8-12(15)6-4-3-5-7-12/h4,6,13,15H,3,5,7-8H2,1-2H3
InChIKeySGALVIAVYPBMRL-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.04
Rot. Bonds4

About N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 126850365) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID126850365
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1(O)C=CCCC1
InChIInChI=1S/C12H18N2O4S/c1-9-11(10(2)18-14-9)19(16,17)13-8-12(15)6-4-3-5-7-12/h4,6,13,15H,3,5,7-8H2,1-2H3
InChIKeySGALVIAVYPBMRL-UHFFFAOYSA-N
XLogP1.04
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97414697
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
N-[(4-hydroxy-1,3-dihydroisothiochromen-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 163351620
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohex-2-en-1-yl)methyl]benzenesulfonamide
CID 126854062
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835124
N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 66007194
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
CID 47071939
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119980726

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 126850365) is N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC1(O)C=CCCC1.
What is the InChIKey of N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SGALVIAVYPBMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-11(10(2)18-14-9)19(16,17)13-8-12(15)6-4-3-5-7-12/h4,6,13,15H,3,5,7-8H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 126850365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).