N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide

C18H30N2O3S — CID 56774181

IUPACN-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
SMILESCC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-18(2)14(11-17(18)20-24(3,21)22)10-15-12-16(23-19-15)9-13-7-5-4-6-8-13/h12-14,17,20H,4-11H2,1-3H3/t14-,17+/m1/s1
InChIKeyNNDFFMHAAZDGMQ-PBHICJAKSA-N
MW354.52 g/mol
LogP3.30
Rot. Bonds6

About N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide

N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide (PubChem CID 56774181) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
PubChem CID56774181
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
SMILESCC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-18(2)14(11-17(18)20-24(3,21)22)10-15-12-16(23-19-15)9-13-7-5-4-6-8-13/h12-14,17,20H,4-11H2,1-3H3/t14-,17+/m1/s1
InChIKeyNNDFFMHAAZDGMQ-PBHICJAKSA-N
XLogP3.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The IUPAC name of N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide (CID 56774181) is N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide is CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The InChIKey is NNDFFMHAAZDGMQ-PBHICJAKSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-18(2)14(11-17(18)20-24(3,21)22)10-15-12-16(23-19-15)9-13-7-5-4-6-8-13/h12-14,17,20H,4-11H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide has a molecular weight of 354.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide is sourced from PubChem (CID 56774181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).