N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine

C15H24N2O3S — CID 115300371

IUPACN-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(OCC(C)C)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-12(2)11-20-14-4-6-15(7-5-14)21(18,19)17-9-8-13(10-17)16-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyLHTAKHWKYBCDTJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.70
Rot. Bonds6

About N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine

N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine (PubChem CID 115300371) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
PubChem CID115300371
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(OCC(C)C)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-12(2)11-20-14-4-6-15(7-5-14)21(18,19)17-9-8-13(10-17)16-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyLHTAKHWKYBCDTJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine
CID 119980169
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine (CID 115300371) is N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine is CNC1CCN(S(=O)(=O)c2ccc(OCC(C)C)cc2)C1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine?
The InChIKey is LHTAKHWKYBCDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)11-20-14-4-6-15(7-5-14)21(18,19)17-9-8-13(10-17)16-3/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine?
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine has a molecular weight of 312.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 115300371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).