molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide

C11H19NO2S — CID 142425737

IUPACmolecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
SMILESCC(C)c1cccc(CNS(C)(=O)=O)c1.[H][H]
InChIInChI=1S/C11H17NO2S.H2/c1-9(2)11-6-4-5-10(7-11)8-12-15(3,13)14;/h4-7,9,12H,8H2,1-3H3;1H
InChIKeyCNRPXFXRSZOGCB-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.11
Rot. Bonds4

About molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide

molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide (PubChem CID 142425737) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
PubChem CID142425737
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Namemolecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
SMILESCC(C)c1cccc(CNS(C)(=O)=O)c1.[H][H]
InChIInChI=1S/C11H17NO2S.H2/c1-9(2)11-6-4-5-10(7-11)8-12-15(3,13)14;/h4-7,9,12H,8H2,1-3H3;1H
InChIKeyCNRPXFXRSZOGCB-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[1-(3-cyano-5-propan-2-ylphenyl)propan-2-yl]phenyl]methyl]methanesulfonamide
CID 134370030
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-[3-[[3-(difluoromethyl)phenyl]methylamino]propyl]methanesulfonamide
CID 106333003
N-[(3-nitrosophenyl)methyl]methanesulfonamide
CID 123247228
[3-(methanesulfonamidomethyl)phenyl]-methyl-oxoazanium
CID 123326478
CID 70601747
CID 70601747
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
CID 49245759
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
N-[(3-nitrophenyl)methyl]methanesulfonamide
CID 47454245
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
CID 58988184
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide?
The IUPAC name of molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide (CID 142425737) is molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide?
The canonical SMILES for molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide is CC(C)c1cccc(CNS(C)(=O)=O)c1.[H][H].
What is the InChIKey of molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide?
The InChIKey is CNRPXFXRSZOGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.H2/c1-9(2)11-6-4-5-10(7-11)8-12-15(3,13)14;/h4-7,9,12H,8H2,1-3H3;1H.
What are the key properties of molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide?
molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide has a molecular weight of 229.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 142425737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).