N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C15H18N2O3S — CID 126822335

IUPACN-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC1(C)[C@@H](NS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-15(2)13(11-6-4-3-5-7-11)14(15)17-21(18,19)10-12-8-9-20-16-12/h3-9,13-14,17H,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyZLTAFKSHRBHWGJ-KBPBESRZSA-N
MW306.39 g/mol
LogP2.29
Rot. Bonds5

About N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 126822335) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID126822335
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC1(C)[C@@H](NS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-15(2)13(11-6-4-3-5-7-11)14(15)17-21(18,19)10-12-8-9-20-16-12/h3-9,13-14,17H,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyZLTAFKSHRBHWGJ-KBPBESRZSA-N
XLogP2.29
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 126822335) is N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is CC1(C)[C@@H](NS(=O)(=O)Cc2ccon2)[C@@H]1c1ccccc1.
What is the InChIKey of N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is ZLTAFKSHRBHWGJ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2)13(11-6-4-3-5-7-11)14(15)17-21(18,19)10-12-8-9-20-16-12/h3-9,13-14,17H,10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 126822335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).