2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline

C15H24N2O3S — CID 81191559

IUPAC2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
SMILESCc1c(N)cccc1S(=O)(=O)CC1CN(C(C)C)CCO1
InChIInChI=1S/C15H24N2O3S/c1-11(2)17-7-8-20-13(9-17)10-21(18,19)15-6-4-5-14(16)12(15)3/h4-6,11,13H,7-10,16H2,1-3H3
InChIKeyPFLVMSNOILBHAQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline

2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline (PubChem CID 81191559) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline.

Molecular Properties

Compound Name2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
PubChem CID81191559
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
SMILESCc1c(N)cccc1S(=O)(=O)CC1CN(C(C)C)CCO1
InChIInChI=1S/C15H24N2O3S/c1-11(2)17-7-8-20-13(9-17)10-21(18,19)15-6-4-5-14(16)12(15)3/h4-6,11,13H,7-10,16H2,1-3H3
InChIKeyPFLVMSNOILBHAQ-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 64532962
2-chloro-4-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 81202020
2-methyl-3-(oxan-2-ylmethylsulfonyl)aniline
CID 81190309
(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate
CID 64532957
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]butanoic acid
CID 105354724
2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline
CID 79146733
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
CID 81182878
2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline
CID 81183819
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
5-bromo-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
CID 81185212
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
3-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 64535093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline?
The IUPAC name of 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline (CID 81191559) is 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline.
What is the SMILES notation for 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline?
The canonical SMILES for 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline is Cc1c(N)cccc1S(=O)(=O)CC1CN(C(C)C)CCO1.
What is the InChIKey of 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline?
The InChIKey is PFLVMSNOILBHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)17-7-8-20-13(9-17)10-21(18,19)15-6-4-5-14(16)12(15)3/h4-6,11,13H,7-10,16H2,1-3H3.
What are the key properties of 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline?
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline has a molecular weight of 312.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline is sourced from PubChem (CID 81191559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).