trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine

C10H18BrNO2S — CID 97238700

IUPACtrans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(Br)CN(C)[C@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C10H18BrNO2S/c1-8(11)7-12(2)9-5-4-6-10(9)15(3,13)14/h9-10H,1,4-7H2,2-3H3/t9-,10-/m0/s1
InChIKeyAYWPQRCGKBEFNC-UWVGGRQHSA-N
MW296.23 g/mol
LogP1.79
Rot. Bonds4

About trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine

trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 97238700) has the molecular formula C10H18BrNO2S and a molecular weight of 296.23 g/mol. Its IUPAC name is trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID97238700
Molecular FormulaC10H18BrNO2S
Molecular Weight296.23 g/mol
Exact Mass295.02
IUPAC Nametrans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(Br)CN(C)[C@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C10H18BrNO2S/c1-8(11)7-12(2)9-5-4-6-10(9)15(3,13)14/h9-10H,1,4-7H2,2-3H3/t9-,10-/m0/s1
InChIKeyAYWPQRCGKBEFNC-UWVGGRQHSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 97238700) is trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine is C=C(Br)CN(C)[C@H]1CCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is AYWPQRCGKBEFNC-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18BrNO2S/c1-8(11)7-12(2)9-5-4-6-10(9)15(3,13)14/h9-10H,1,4-7H2,2-3H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 296.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 97238700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).