N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide

C15H23NO3S — CID 167101171

IUPACN-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide
SMILESCC(C)c1ccc(OCC2CC2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-11(2)14-8-7-13(19-10-12-5-6-12)9-15(14)16(3)20(4,17)18/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyAEKLDBDKKPCDQV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.99
Rot. Bonds6

About N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide

N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide (PubChem CID 167101171) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide
PubChem CID167101171
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide
SMILESCC(C)c1ccc(OCC2CC2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C15H23NO3S/c1-11(2)14-8-7-13(19-10-12-5-6-12)9-15(14)16(3)20(4,17)18/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyAEKLDBDKKPCDQV-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
CID 167101115
N-[5-(cyclopropylmethoxy)-2-nitrophenyl]-N-methylmethanesulfonamide
CID 163387481
N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
CID 134507844
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 167101417
4-(cyclopropylmethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 43560231
(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
CID 142361370
2-(3-methyl-4-propan-2-ylphenoxy)ethyl 2-[methyl(methylsulfonyl)amino]benzoate
CID 18158355
(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine
CID 118928761
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
2-tert-butyl-5-(cyclopropylmethoxy)-N-methyl-N-methylsulfanylaniline
CID 170278228
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide (CID 167101171) is N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide is CC(C)c1ccc(OCC2CC2)cc1N(C)S(C)(=O)=O.
What is the InChIKey of N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide?
The InChIKey is AEKLDBDKKPCDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(2)14-8-7-13(19-10-12-5-6-12)9-15(14)16(3)20(4,17)18/h7-9,11-12H,5-6,10H2,1-4H3.
What are the key properties of N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide?
N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 167101171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).