N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine

C11H17NO3S — CID 117036381

IUPACN-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
SMILESCOc1ccc(S(=O)(=O)CNC(C)C)cc1
InChIInChI=1S/C11H17NO3S/c1-9(2)12-8-16(13,14)11-6-4-10(15-3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyIQTVOMKVZFNEIK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.42
Rot. Bonds5

About N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine

N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine (PubChem CID 117036381) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
PubChem CID117036381
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
SMILESCOc1ccc(S(=O)(=O)CNC(C)C)cc1
InChIInChI=1S/C11H17NO3S/c1-9(2)12-8-16(13,14)11-6-4-10(15-3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyIQTVOMKVZFNEIK-UHFFFAOYSA-N
XLogP1.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
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2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
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1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64647341
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-butylsulfonyl-4-methoxybenzene
CID 12696371
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
2-[2-[(4-methoxyphenyl)sulfonylmethylamino]ethoxy]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine (CID 117036381) is N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine is COc1ccc(S(=O)(=O)CNC(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine?
The InChIKey is IQTVOMKVZFNEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9(2)12-8-16(13,14)11-6-4-10(15-3)5-7-11/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine?
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine is sourced from PubChem (CID 117036381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).