N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

C14H20BrNO2S — CID 81381610

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESC[C@H](NC1CCCC1S(C)(=O)=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2S/c1-10(11-5-3-6-12(15)9-11)16-13-7-4-8-14(13)19(2,17)18/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3/t10-,13?,14?/m0/s1
InChIKeyKJUQSZHULHYMSB-FNBIGBAISA-N
MW346.29 g/mol
LogP3.07
Rot. Bonds4

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 81381610) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID81381610
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESC[C@H](NC1CCCC1S(C)(=O)=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2S/c1-10(11-5-3-6-12(15)9-11)16-13-7-4-8-14(13)19(2,17)18/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3/t10-,13?,14?/m0/s1
InChIKeyKJUQSZHULHYMSB-FNBIGBAISA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81364185
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892
N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044459
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81381403
N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43673221
N-[1-(3-bromophenyl)ethyl]-2-methylthian-3-amine
CID 79957820
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81382206
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 81381610) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is C[C@H](NC1CCCC1S(C)(=O)=O)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is KJUQSZHULHYMSB-FNBIGBAISA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-10(11-5-3-6-12(15)9-11)16-13-7-4-8-14(13)19(2,17)18/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3/t10-,13?,14?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 346.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 81381610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).