N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine

C18H27FN2O4S — CID 120711444

IUPACN-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H27FN2O4S/c1-24-10-11-25-17-5-4-15(19)12-18(17)26(22,23)21-8-6-16(7-9-21)20-13-14-2-3-14/h4-5,12,14,16,20H,2-3,6-11,13H2,1H3
InChIKeyGMHAENIHDGPVAP-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.00
Rot. Bonds9

About N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine

N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine (PubChem CID 120711444) has the molecular formula C18H27FN2O4S and a molecular weight of 386.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine
PubChem CID120711444
Molecular FormulaC18H27FN2O4S
Molecular Weight386.49 g/mol
Exact Mass386.17
IUPAC NameN-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H27FN2O4S/c1-24-10-11-25-17-5-4-15(19)12-18(17)26(22,23)21-8-6-16(7-9-21)20-13-14-2-3-14/h4-5,12,14,16,20H,2-3,6-11,13H2,1H3
InChIKeyGMHAENIHDGPVAP-UHFFFAOYSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-4-fluorobenzoate
CID 119987926
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779271
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 120710454
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115
[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711687
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine
CID 120708128
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
methyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-4-methylbenzoate
CID 119987827

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine (CID 120711444) is N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine is COCCOc1ccc(F)cc1S(=O)(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is GMHAENIHDGPVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O4S/c1-24-10-11-25-17-5-4-15(19)12-18(17)26(22,23)21-8-6-16(7-9-21)20-13-14-2-3-14/h4-5,12,14,16,20H,2-3,6-11,13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 386.49 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 120711444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).