cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

C15H22FNO3S — CID 129421973

IUPACcis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCOc1ccc(CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)cc1F
InChIInChI=1S/C15H22FNO3S/c1-17(13-5-4-6-15(13)21(3,18)19)10-11-7-8-14(20-2)12(16)9-11/h7-9,13,15H,4-6,10H2,1-3H3/t13-,15+/m0/s1
InChIKeyFQHMSVMCOSWZNL-DZGCQCFKSA-N
MW315.41 g/mol
LogP2.23
Rot. Bonds5

About cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 129421973) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID129421973
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Namecis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCOc1ccc(CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)cc1F
InChIInChI=1S/C15H22FNO3S/c1-17(13-5-4-6-15(13)21(3,18)19)10-11-7-8-14(20-2)12(16)9-11/h7-9,13,15H,4-6,10H2,1-3H3/t13-,15+/m0/s1
InChIKeyFQHMSVMCOSWZNL-DZGCQCFKSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 75386810
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
trans-(1S,2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 96567808
(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide
CID 35311721
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
N-(2-chloroethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexanamine
CID 63387062
N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795729
cis-(1S,2R)-N-[(2-fluoro-4-nitrophenyl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 124840904
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 18191989
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637367
3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 129421973) is cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine is COc1ccc(CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)cc1F.
What is the InChIKey of cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is FQHMSVMCOSWZNL-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-17(13-5-4-6-15(13)21(3,18)19)10-11-7-8-14(20-2)12(16)9-11/h7-9,13,15H,4-6,10H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 315.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 129421973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).