N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine

C16H23FN2O2S — CID 120711454

IUPACN-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c1F
InChIInChI=1S/C16H23FN2O2S/c1-12-3-2-4-15(16(12)17)22(20,21)19-9-7-14(8-10-19)18-11-13-5-6-13/h2-4,13-14,18H,5-11H2,1H3
InChIKeyBQZTVKQHPRYLAT-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.29
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine

N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 120711454) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID120711454
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC NameN-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c1F
InChIInChI=1S/C16H23FN2O2S/c1-12-3-2-4-15(16(12)17)22(20,21)19-9-7-14(8-10-19)18-11-13-5-6-13/h2-4,13-14,18H,5-11H2,1H3
InChIKeyBQZTVKQHPRYLAT-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120705953
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
1-[1-(2-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120709661
N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119987410
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115
1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711384
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711455
2-chloro-6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119987396
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 119987403

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine (CID 120711454) is N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine is Cc1cccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c1F.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is BQZTVKQHPRYLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-12-3-2-4-15(16(12)17)22(20,21)19-9-7-14(8-10-19)18-11-13-5-6-13/h2-4,13-14,18H,5-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 120711454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).