2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine

C11H17NO3S — CID 115045053

IUPAC2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
SMILESCOc1ccc(S(=O)(=O)C(C)(C)CN)cc1
InChIInChI=1S/C11H17NO3S/c1-11(2,8-12)16(13,14)10-6-4-9(15-3)5-7-10/h4-7H,8,12H2,1-3H3
InChIKeyYVGHGCPVEQNLKI-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.21
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine

2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine (PubChem CID 115045053) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
PubChem CID115045053
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
SMILESCOc1ccc(S(=O)(=O)C(C)(C)CN)cc1
InChIInChI=1S/C11H17NO3S/c1-11(2,8-12)16(13,14)10-6-4-9(15-3)5-7-10/h4-7H,8,12H2,1-3H3
InChIKeyYVGHGCPVEQNLKI-UHFFFAOYSA-N
XLogP1.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine
CID 115048069
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 119975574
4-(4-methoxyphenyl)sulfonyl-2-methylbutan-2-amine
CID 117036317
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methylpropanoate
CID 58198436
N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 61133016
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909
2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-2-phenylpropan-1-amine
CID 170274194
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
4-methoxybenzenesulfonyl iodide
CID 23080708

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine (CID 115045053) is 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine is COc1ccc(S(=O)(=O)C(C)(C)CN)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine?
The InChIKey is YVGHGCPVEQNLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,8-12)16(13,14)10-6-4-9(15-3)5-7-10/h4-7H,8,12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine?
2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine is sourced from PubChem (CID 115045053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).