N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine

C20H32N2O3S — CID 120711446

IUPACN-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1C(C)C
InChIInChI=1S/C20H32N2O3S/c1-14(2)18-12-20(15(3)11-19(18)25-4)26(23,24)22-9-7-17(8-10-22)21-13-16-5-6-16/h11-12,14,16-17,21H,5-10,13H2,1-4H3
InChIKeyFYOKWZCEYGAGNM-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.28
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine

N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine (PubChem CID 120711446) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine
PubChem CID120711446
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1C(C)C
InChIInChI=1S/C20H32N2O3S/c1-14(2)18-12-20(15(3)11-19(18)25-4)26(23,24)22-9-7-17(8-10-22)21-13-16-5-6-16/h11-12,14,16-17,21H,5-10,13H2,1-4H3
InChIKeyFYOKWZCEYGAGNM-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
1-[1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627888
N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide
CID 164618773
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 934725
4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991857
5-Isopropyl-2-methoxy-4-methyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1091003
2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 2147485
1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1265276
4-Methoxy-2,5-dimethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 653046
4-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine (CID 120711446) is N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine is COc1cc(C)c(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is FYOKWZCEYGAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-14(2)18-12-20(15(3)11-19(18)25-4)26(23,24)22-9-7-17(8-10-22)21-13-16-5-6-16/h11-12,14,16-17,21H,5-10,13H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 380.55 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 120711446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).