2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide

C16H27NO2S — CID 69247044

IUPAC2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
SMILESCCCOc1ccc(C(CC)NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-6-12-19-14-10-8-13(9-11-14)15(7-2)17-20(18)16(3,4)5/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyKAVXNSUVXDFUHT-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.98
Rot. Bonds7

About 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide

2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide (PubChem CID 69247044) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
PubChem CID69247044
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
SMILESCCCOc1ccc(C(CC)NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-6-12-19-14-10-8-13(9-11-14)15(7-2)17-20(18)16(3,4)5/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyKAVXNSUVXDFUHT-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide
CID 118693312
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
2-tert-butylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64651112
N-[1-(4-butoxyphenyl)-2,2-difluoro-3-(4-methylphenyl)-3-oxopropyl]-2-methylpropane-2-sulfinamide
CID 129064452
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide;N-[1-(4-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 161016936
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
CID 62496976
N-[(2,2-dimethylpropanoylamino)-(4-propoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 18839386
1-(4-propoxyphenyl)propan-1-amine
CID 16783118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide (CID 69247044) is 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide is CCCOc1ccc(C(CC)NS(=O)C(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide?
The InChIKey is KAVXNSUVXDFUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-12-19-14-10-8-13(9-11-14)15(7-2)17-20(18)16(3,4)5/h8-11,15,17H,6-7,12H2,1-5H3.
What are the key properties of 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide?
2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide has a molecular weight of 297.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide is sourced from PubChem (CID 69247044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).